NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26464 | 2kkq | 16370 | cing | 1-original | 3 | MR format | nomenclature mapping |
end w1 w2 w3 Data Height -0.226 31.994 -0.225 254567 -0.054 32.065 -0.221 347429 0.553 32.028 -0.216 202358 7.206 21.109 -0.055 229510 1.533 20.985 -0.055 147807 0.655 21.042 -0.055 899537 8.583 21.088 -0.054 986590 6.973 21.076 -0.054 334804 5.319 21.081 -0.054 292740 4.629 21.087 -0.054 968410 1.714 21.119 -0.054 287405 0.824 21.098 -0.054 688053 0.558 21.092 -0.054 2579300 0.393 21.113 -0.054 443733 -0.054 21.095 -0.054 16767159 -0.219 21.097 -0.054 1709186 6.833 21.071 -0.053 211976 5.776 21.069 -0.053 172452 7.633 21.095 -0.052 222473 7.073 21.083 -0.052 478231 1.109 21.130 -0.052 492131 10.244 25.657 0.081 169139 3.192 25.643 0.081 307681 6.662 25.615 0.082 581780 4.782 25.666 0.082 308688 1.751 25.591 0.082 546929 0.949 25.628 0.082 1685016 0.702 25.597 0.082 2328266 0.470 25.612 0.082 2484831 0.355 25.602 0.082 2014440 0.081 25.609 0.082 42786684 1.271 43.199 0.083 347181 9.024 25.642 0.083 561163 7.618 25.601 0.083 336356 7.047 25.578 0.083 595739 6.815 25.608 0.083 409305 4.592 25.451 0.083 187893 1.548 25.560 0.083 247478 1.266 25.600 0.083 1584793 0.845 25.534 0.083 571739 5.034 25.656 0.084 207433 0.981 43.178 0.085 131460 0.083 43.211 0.085 428683 7.170 25.567 0.085 269735 9.027 43.203 0.085 190671 1.212 43.155 0.086 145519 0.691 43.262 0.088 188890 7.638 24.692 0.193 179587 1.747 24.684 0.193 339808 7.174 24.702 0.194 2142206 5.041 24.695 0.194 655192 3.213 24.693 0.194 271462 1.166 24.693 0.194 746321 0.955 24.693 0.194 2068152 0.687 24.697 0.194 5014386 9.007 24.690 0.195 1139980 6.777 24.710 0.195 1316513 4.782 24.699 0.195 1194145 1.269 24.708 0.195 890849 0.402 24.695 0.195 1055002 0.194 24.700 0.195 37598732 0.845 24.659 0.195 733087 8.316 24.582 0.203 154649 7.216 27.843 0.246 167812 4.705 27.943 0.249 225507 0.905 27.913 0.251 292837 4.573 27.987 0.252 127734 1.192 27.891 0.252 1395134 0.385 27.894 0.252 1510925 0.258 27.880 0.252 1827180 1.432 27.868 0.255 373603 7.088 27.941 0.256 145742 8.813 27.831 0.257 159685 2.920 18.121 0.329 239438 1.959 18.254 0.329 196868 8.931 18.157 0.331 368662 4.724 18.173 0.332 1156380 1.798 18.173 0.332 581432 1.431 18.166 0.332 2573100 8.803 18.178 0.333 1038219 8.632 18.161 0.333 760098 4.572 18.221 0.333 315531 3.644 18.176 0.333 455894 1.572 18.179 0.333 666910 1.185 18.173 0.333 2088525 0.896 18.172 0.333 2154023 0.334 18.172 0.333 28865710 0.648 18.181 0.335 383727 7.212 18.174 0.337 139828 4.684 25.059 0.344 134855 8.413 25.074 0.345 202667 10.236 25.007 0.347 182357 1.540 24.992 0.347 248020 6.947 24.981 0.347 186006 1.127 24.981 0.347 1148682 0.858 24.981 0.347 440680 9.148 25.033 0.348 399754 2.142 25.062 0.348 401810 1.184 25.051 0.348 1642877 6.842 25.025 0.349 875828 2.886 25.029 0.349 265478 1.366 25.037 0.349 2196918 0.729 25.040 0.349 5622640 0.586 25.046 0.349 728173 0.346 25.044 0.349 48072680 0.083 25.045 0.349 2290485 7.620 25.026 0.350 191313 7.043 24.993 0.350 500956 4.955 25.040 0.350 404056 3.129 25.062 0.350 372222 1.742 25.040 0.350 1249987 0.213 25.015 0.350 1125620 6.655 25.084 0.352 280561 5.092 25.022 0.352 150195 5.203 21.835 0.379 128542 0.845 21.754 0.381 2023483 6.674 21.789 0.382 139744 4.848 21.739 0.382 132348 6.777 21.825 0.383 420707 2.071 21.798 0.383 146064 8.507 21.848 0.384 469717 3.786 21.824 0.384 1152249 3.211 21.811 0.384 415706 1.776 21.826 0.384 1558732 1.475 21.719 0.384 193936 8.317 21.827 0.385 935573 0.900 21.835 0.385 3408700 0.684 21.835 0.385 1620533 0.383 21.832 0.385 26687432 0.203 21.829 0.385 1045354 0.095 21.833 0.385 592418 7.175 21.842 0.386 707584 2.028 15.139 0.398 171621 0.813 14.965 0.400 1049867 8.631 14.994 0.402 160763 5.361 14.953 0.404 184562 3.645 14.997 0.405 143037 2.278 15.037 0.405 242461 -0.053 15.005 0.405 610810 8.815 14.970 0.406 400636 7.094 15.013 0.406 766172 6.976 15.000 0.406 330556 5.204 15.002 0.406 118178 1.784 15.029 0.406 385645 1.430 15.012 0.406 1759973 1.191 15.016 0.406 2344392 0.903 15.011 0.406 3262488 0.648 15.027 0.406 1757992 0.401 15.013 0.406 33586132 8.937 14.978 0.407 345633 4.715 14.995 0.407 450308 7.204 15.017 0.408 420436 0.603 31.775 0.439 491737 7.002 31.704 0.440 129325 1.424 31.779 0.440 942501 1.059 31.733 0.440 418391 2.279 31.705 0.441 133641 0.435 31.760 0.441 1023180 4.564 31.639 0.442 179431 2.148 31.776 0.443 243887 8.606 31.727 0.444 285980 4.677 31.778 0.444 138876 8.318 44.619 0.467 206263 1.154 44.643 0.467 927299 5.033 44.693 0.468 212655 7.180 44.613 0.469 158476 0.472 44.658 0.469 682904 7.033 13.413 0.469 170235 0.633 44.651 0.471 667145 2.500 13.465 0.474 275984 9.061 13.521 0.475 283903 6.657 13.464 0.475 571761 10.255 13.461 0.476 388676 5.186 13.419 0.476 145299 4.588 13.455 0.476 476481 2.927 13.494 0.476 320850 1.544 13.475 0.476 1618016 1.254 13.480 0.476 1751926 0.702 13.475 0.476 6231085 0.473 13.476 0.476 31107034 0.082 13.475 0.476 2511305 0.355 13.421 0.476 1522632 1.801 13.492 0.477 320708 0.850 13.469 0.477 1913678 8.888 13.486 0.478 355970 4.479 20.972 0.545 283911 4.340 21.002 0.546 241656 4.029 20.971 0.546 184768 4.694 20.916 0.546 444248 3.659 20.916 0.546 789262 9.154 20.931 0.547 303863 8.956 20.969 0.547 957866 8.578 20.957 0.547 226979 8.137 20.959 0.548 752458 5.143 20.954 0.548 507946 2.996 21.004 0.548 233575 2.335 20.978 0.548 877859 2.136 20.973 0.548 781649 1.940 20.971 0.548 1123285 1.749 20.969 0.548 2172620 1.583 20.969 0.548 939957 1.398 20.994 0.548 599661 0.806 20.961 0.548 2689604 0.551 20.967 0.548 24738154 4.786 20.960 0.549 1224360 3.760 20.954 0.549 1145394 2.028 19.411 0.549 207135 9.557 20.967 0.550 249438 1.197 21.072 0.550 480506 8.481 20.932 0.551 179880 2.057 19.063 0.553 218397 3.523 19.232 0.554 156558 8.710 19.184 0.555 412467 8.583 19.227 0.556 1224634 7.081 19.233 0.556 1041641 4.777 19.225 0.556 181882 1.711 19.197 0.556 384240 0.555 19.230 0.556 23809226 -0.223 19.238 0.556 1044073 6.968 19.232 0.557 1257290 5.835 19.240 0.557 179760 5.294 19.229 0.557 318546 4.632 19.203 0.557 508511 2.417 19.260 0.557 329635 0.895 19.316 0.557 361968 -0.055 19.231 0.557 2979236 6.833 19.221 0.558 394666 1.111 19.230 0.558 498034 1.393 25.548 0.575 203191 2.146 25.475 0.578 1237583 1.760 25.436 0.578 207239 6.657 25.490 0.579 1018769 5.113 25.476 0.579 533954 4.165 25.472 0.579 535449 2.500 25.413 0.579 305368 1.021 25.496 0.579 1183262 0.739 25.485 0.579 5612174 0.347 25.477 0.579 1036309 10.253 25.486 0.580 643132 2.924 25.504 0.580 367889 1.851 25.432 0.580 221321 1.198 25.482 0.580 2017266 0.580 25.488 0.580 34672060 0.088 25.465 0.580 265148 8.765 25.511 0.581 267210 7.027 25.457 0.581 242924 1.578 25.486 0.581 658032 9.090 25.526 0.582 263469 4.588 25.556 0.583 256601 5.968 27.251 0.600 138962 8.609 27.144 0.603 146214 7.595 27.271 0.604 115424 1.428 27.183 0.606 493467 5.115 27.162 0.607 181482 1.054 27.158 0.607 1776340 8.805 27.077 0.609 254895 2.146 27.118 0.609 380920 0.602 27.141 0.609 3174432 4.565 27.102 0.610 336340 2.281 27.019 0.610 376228 0.440 27.145 0.612 658095 1.824 25.995 0.617 182525 7.694 26.004 0.621 248091 1.713 26.060 0.622 465851 7.147 26.013 0.622 391839 7.147 26.013 0.622 391839 1.046 26.013 0.622 566620 7.197 26.066 0.623 833234 9.030 26.042 0.624 319619 5.035 26.107 0.624 444700 1.153 26.071 0.624 3173944 0.626 26.059 0.624 35493524 6.778 26.059 0.625 389702 0.793 26.024 0.625 736516 0.467 26.031 0.625 1499299 0.204 26.030 0.625 429957 4.694 20.108 0.625 154813 2.320 20.149 0.626 212783 8.947 20.148 0.627 331989 4.787 20.168 0.627 757598 1.411 20.152 0.627 195774 8.312 26.078 0.627 382863 1.570 25.960 0.627 178990 8.237 20.173 0.628 585732 8.014 20.174 0.628 148579 7.270 20.158 0.628 351089 5.142 20.179 0.628 459972 4.165 20.160 0.628 514344 3.764 20.155 0.628 571592 1.752 20.164 0.628 1787733 1.589 20.169 0.628 1701642 1.196 20.167 0.628 844460 0.623 20.166 0.628 13734059 8.588 20.173 0.629 222509 2.948 20.098 0.629 179554 0.787 20.164 0.629 2503262 4.788 26.141 0.631 133799 7.204 23.990 0.648 285742 5.379 23.947 0.648 1395432 1.837 23.947 0.648 682270 9.017 23.995 0.650 722255 7.568 24.003 0.650 207889 0.833 23.947 0.650 3025245 8.668 23.990 0.651 675543 8.297 24.013 0.651 544040 5.327 23.994 0.651 1936345 1.573 23.987 0.651 2161346 1.410 23.960 0.651 661047 1.084 24.012 0.651 1441343 0.902 23.982 0.651 3195292 0.648 23.990 0.651 57671160 0.397 23.989 0.651 2108534 -0.053 23.993 0.651 1246813 8.849 24.013 0.652 239394 6.665 24.007 0.653 264241 0.854 17.912 0.676 2850476 9.740 17.932 0.677 283863 3.719 17.943 0.678 669883 1.537 17.900 0.678 1617428 8.891 17.974 0.679 294887 8.625 17.949 0.679 581911 4.588 17.922 0.679 1057281 0.473 17.938 0.679 2677910 8.410 17.968 0.680 222813 2.938 17.779 0.680 249755 0.677 17.912 0.680 20544208 1.488 17.537 0.680 1191530 1.887 17.819 0.680 528831 1.841 17.823 0.682 599395 1.260 17.849 0.682 883316 6.817 17.448 0.682 350787 9.022 17.538 0.683 902900 5.194 17.496 0.683 1017348 1.722 17.505 0.683 1714456 0.851 17.641 0.683 3730384 0.683 17.664 0.683 26114658 7.172 17.481 0.683 1673531 4.825 17.479 0.683 333218 0.847 17.537 0.683 3730384 5.008 41.537 0.683 224893 0.970 17.590 0.684 1521783 0.392 17.497 0.684 1814147 0.194 17.497 0.684 1692389 0.097 17.558 0.684 877202 2.259 24.716 0.693 250276 9.206 24.536 0.696 261325 9.028 24.578 0.696 1629273 5.047 24.561 0.696 1657958 0.463 24.621 0.696 1363130 7.147 24.534 0.696 478470 7.147 24.534 0.696 478470 1.273 24.534 0.696 351988 0.086 24.534 0.696 775795 7.681 24.598 0.697 874128 7.201 24.565 0.697 1016255 7.097 24.601 0.697 489048 1.153 24.574 0.697 3104121 1.050 24.609 0.697 2532132 0.692 24.576 0.697 38599072 8.296 24.560 0.698 385337 6.786 24.546 0.698 472104 4.786 24.568 0.698 836431 1.547 24.716 0.698 268105 0.192 24.598 0.698 1664892 0.103 48.534 0.698 775795 6.149 24.491 0.707 439239 0.976 26.806 0.715 302944 8.891 26.769 0.715 150199 1.539 26.798 0.716 303176 5.338 20.080 0.719 213258 0.083 26.793 0.719 225527 2.313 20.169 0.720 249893 4.587 26.886 0.720 180823 9.075 20.130 0.721 1097207 8.886 20.150 0.721 518016 8.416 20.069 0.721 181091 5.445 20.147 0.721 308102 5.067 20.140 0.721 282500 4.431 20.144 0.721 808965 1.548 20.139 0.721 1831640 1.372 20.150 0.721 757582 0.858 20.134 0.721 6381739 0.483 20.138 0.721 1578954 0.349 20.167 0.721 731672 0.089 20.166 0.721 250288 8.098 20.148 0.722 523363 1.824 20.145 0.722 1971610 1.242 20.151 0.722 566440 1.032 20.202 0.722 234371 0.723 20.143 0.722 44964932 1.256 26.779 0.722 555760 0.474 26.768 0.722 666412 3.754 20.080 0.723 249860 2.935 20.132 0.723 158212 3.089 23.689 0.725 389232 0.346 23.646 0.728 3716319 0.712 26.757 0.728 1503554 2.164 23.627 0.729 710970 1.726 23.652 0.729 1333744 4.954 23.654 0.730 1654975 0.730 23.676 0.730 92332064 8.110 23.640 0.731 439111 4.800 23.623 0.731 558896 1.549 23.670 0.731 1964727 1.358 23.675 0.731 5437758 1.128 23.673 0.731 3255902 0.083 23.638 0.731 599297 3.942 23.674 0.731 251218 3.775 23.696 0.732 1854017 9.065 23.655 0.733 857917 8.890 23.689 0.733 1254223 8.406 23.634 0.733 827156 5.329 23.668 0.733 572438 5.055 23.682 0.733 1752845 1.878 23.696 0.733 1066041 4.432 23.657 0.734 491630 2.848 23.648 0.734 836807 10.239 25.264 0.735 193345 6.795 23.632 0.735 391144 8.812 11.222 0.736 828912 4.807 11.235 0.736 415200 2.452 11.210 0.736 507781 1.729 11.221 0.736 475741 7.209 11.232 0.737 314676 4.557 11.166 0.737 252700 3.920 11.215 0.737 1936595 3.722 11.237 0.737 1111175 3.655 11.217 0.737 1071582 2.037 11.216 0.737 1308896 1.537 11.218 0.737 1039745 1.387 11.227 0.737 1807476 1.154 11.222 0.737 1925950 0.901 11.217 0.737 4054368 0.734 11.215 0.737 69416752 8.558 23.619 0.737 277734 7.444 11.218 0.738 321752 7.077 11.198 0.738 213859 6.742 11.192 0.740 321217 4.791 25.314 0.742 422522 2.313 25.334 0.742 471713 1.403 25.299 0.742 886474 0.345 25.302 0.742 900858 0.086 25.264 0.742 160012 8.730 25.300 0.743 1297890 8.595 25.317 0.743 445097 8.463 25.297 0.743 324934 1.551 25.309 0.743 1539968 0.741 25.297 0.743 44504004 5.109 25.303 0.744 2146096 2.148 25.290 0.744 783358 1.197 25.299 0.744 2198788 1.023 25.300 0.744 1093372 0.587 25.305 0.744 4172116 8.122 25.306 0.745 472344 7.027 25.314 0.747 155814 6.658 25.312 0.747 314040 4.158 25.337 0.747 179596 2.625 25.246 0.747 171541 1.790 25.340 0.747 376017 1.466 27.023 0.779 239705 3.078 27.058 0.782 328630 4.434 20.537 0.788 304867 8.122 20.527 0.789 558934 5.136 20.546 0.789 578019 2.308 20.536 0.789 1967382 1.828 20.523 0.789 1115484 4.791 20.485 0.789 703275 1.887 20.485 0.789 615612 8.955 20.558 0.790 407946 8.510 20.541 0.790 1079257 8.238 20.445 0.790 124989 4.694 20.537 0.790 1225790 2.943 20.475 0.790 530171 1.596 20.527 0.790 754766 1.411 20.548 0.790 435234 1.208 20.595 0.790 485918 0.789 20.534 0.790 44349592 8.587 20.532 0.791 1539481 0.592 20.533 0.791 2218779 1.466 23.817 0.791 200845 7.820 13.337 0.792 317386 2.784 20.478 0.793 423014 7.993 23.728 0.793 219849 4.198 13.400 0.793 328134 3.147 13.323 0.793 419196 3.079 13.368 0.794 428396 1.674 13.361 0.794 1752478 1.387 13.367 0.794 3273447 1.019 13.375 0.794 3651260 0.796 13.369 0.794 63400736 1.725 13.323 0.794 1456756 1.590 13.323 0.794 1311985 2.141 23.581 0.795 291818 9.618 13.372 0.795 254669 4.931 13.399 0.795 198539 4.019 13.354 0.795 791889 1.615 13.323 0.796 1424709 1.569 23.562 0.801 514641 3.243 24.608 0.802 269207 5.132 23.501 0.802 342455 4.791 23.580 0.802 425154 2.623 16.875 0.802 343401 4.587 13.322 0.802 204319 4.394 27.050 0.802 215029 2.314 24.601 0.803 361164 4.582 26.976 0.803 180113 9.618 16.856 0.803 597423 4.199 16.868 0.803 1133030 4.022 16.868 0.803 2267003 3.601 16.861 0.803 536078 1.680 16.870 0.803 2433914 1.389 16.860 0.803 1267807 1.021 16.866 0.803 1781407 0.804 16.872 0.803 41609688 3.349 16.850 0.803 200169 9.548 23.492 0.804 970841 8.414 23.533 0.804 1111499 8.121 23.489 0.804 1093044 2.933 23.756 0.804 531939 2.327 23.450 0.804 558057 1.889 23.498 0.804 2069898 0.806 23.507 0.804 43992960 0.580 23.523 0.804 3801605 8.044 16.853 0.804 152753 7.815 16.864 0.804 464936 4.939 16.866 0.804 1286106 4.599 16.821 0.804 199031 1.964 16.852 0.804 527049 5.444 23.487 0.804 144229 1.818 23.487 0.804 525432 4.429 23.487 0.804 223372 9.742 23.578 0.805 701034 3.679 23.530 0.805 1687308 2.955 23.481 0.805 569585 2.499 23.585 0.805 386136 2.173 16.906 0.805 423458 2.811 24.699 0.806 206930 8.952 23.552 0.806 264170 4.696 24.512 0.807 1937082 3.865 24.512 0.807 929180 1.713 24.514 0.807 3479571 1.409 24.530 0.807 1729076 1.196 24.520 0.807 1938387 4.456 24.501 0.808 1553149 4.018 24.513 0.808 1094743 0.810 24.514 0.808 118000800 7.673 26.663 0.808 276396 1.937 24.457 0.808 175927 1.930 24.457 0.808 175927 8.971 24.447 0.809 590532 8.138 24.530 0.809 738327 3.687 24.544 0.809 746188 2.022 24.462 0.809 464688 8.299 26.757 0.810 276269 7.575 26.641 0.810 243805 8.486 24.473 0.811 700218 7.201 26.731 0.811 209323 5.314 26.699 0.811 457291 0.406 26.677 0.811 641568 1.561 26.792 0.812 1222285 0.648 26.681 0.812 2912688 1.064 26.675 0.812 2149535 5.379 26.675 0.813 244994 2.014 26.675 0.813 203498 1.837 26.675 0.813 672233 2.920 24.723 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8.266 210988 8.123 128.359 8.612 238734 8.125 116.631 8.416 333968 8.125 119.840 8.128 4122330 8.126 114.178 9.559 936206 8.127 119.411 8.498 284589 8.127 123.120 9.209 138955 8.127 126.568 8.726 230653 8.129 124.039 8.479 478159 8.130 122.088 8.624 195437 8.132 122.579 8.994 353333 8.134 122.088 8.135 6823035 8.135 106.878 7.827 398562 8.135 116.445 8.135 5564280 8.139 123.800 8.950 362584 8.169 110.930 8.762 319106 8.171 120.844 8.170 8113412 8.177 121.830 8.963 379631 8.192 110.084 8.194 1015048 8.194 119.787 7.812 340816 8.196 110.047 6.716 997021 8.197 109.955 8.196 1070055 8.199 109.938 6.713 997021 8.199 115.218 9.146 96751 8.226 123.775 8.948 209116 8.231 111.661 7.639 68031 8.231 111.661 6.818 112381 8.232 112.253 8.403 1238152 8.232 117.558 8.229 5192544 8.238 121.117 8.236 5786462 8.244 122.420 8.577 277704 8.244 126.619 8.730 209747 8.271 123.724 8.269 5220029 8.285 122.259 8.140 289178 8.293 126.883 9.036 341829 8.294 127.991 8.295 3116584 8.297 120.587 8.852 290132 8.303 116.740 8.305 11995627 8.306 123.397 8.320 3761906 8.310 123.192 8.309 5465167 8.313 118.844 8.672 130573 8.316 120.535 9.025 175331 8.316 122.459 8.579 201776 8.319 125.176 8.316 4761790 8.321 127.258 8.319 39692408 8.340 120.279 8.340 3085308 8.340 127.443 9.753 162523 8.346 123.030 8.121 571778 8.347 107.070 9.091 161162 8.353 112.128 8.353 5809370 8.366 122.197 9.074 306340 8.367 122.061 8.365 6114846 8.404 122.078 8.621 169829 8.405 112.258 8.403 5577812 8.405 117.573 8.229 1180756 8.407 120.836 8.404 8636130 8.408 122.023 8.404 4529588 8.411 114.145 9.086 240236 8.412 118.391 7.968 642682 8.412 124.099 9.152 184936 8.414 125.895 9.748 149221 8.416 114.163 9.557 274414 8.416 116.658 8.414 6721332 8.466 122.975 8.123 359181 8.471 120.733 8.136 418631 8.471 123.980 8.471 7296516 8.487 119.789 8.129 402873 8.494 122.590 8.995 321464 8.500 126.827 8.497 8457198 8.503 119.427 8.500 4926438 8.506 121.859 8.962 212400 8.510 123.784 8.950 362410 8.528 119.697 7.808 396526 8.535 118.401 8.530 2039910 8.536 110.264 8.534 750684 8.544 123.652 8.542 5286820 8.544 125.206 8.317 339335 8.547 123.816 9.477 122383 8.548 112.281 8.404 347478 8.572 120.562 9.389 168046 8.572 122.205 8.403 158920 8.575 117.565 8.230 475757 8.579 114.591 6.552 52564 8.579 114.591 7.989 81833 8.580 120.335 9.155 715117 8.582 116.094 8.007 1563004 8.582 118.450 8.580 6184360 8.582 122.459 8.577 2410001 8.585 121.364 7.274 365032 8.586 123.821 8.954 384853 8.587 125.028 8.585 3005808 8.596 120.312 8.595 6589616 8.598 121.160 8.234 145509 8.601 117.692 9.451 390270 8.602 126.551 8.728 327552 8.602 120.283 8.712 739409 8.609 128.363 8.609 2619410 8.614 120.845 8.407 385682 8.614 119.843 8.125 206803 8.619 120.831 8.613 3516672 8.622 116.464 8.137 279231 8.623 124.947 8.621 2754510 8.625 122.143 8.623 4384100 8.628 126.944 9.012 562992 8.628 120.541 8.632 5051430 8.628 125.614 9.243 133083 8.630 120.981 8.796 411237 8.630 122.600 9.207 154779 8.633 120.588 9.024 144525 8.634 120.725 8.403 385682 8.664 123.845 9.476 187649 8.671 122.985 8.306 182243 8.673 112.105 7.644 187130 8.673 119.036 8.673 4070644 8.689 120.845 8.407 305296 8.694 126.904 9.018 357845 8.714 123.896 8.464 174345 8.714 125.049 8.586 459416 8.716 120.280 8.715 4332440 8.721 119.719 8.128 249038 8.728 126.579 8.729 2841525 8.732 121.119 8.237 238031 8.742 120.831 8.613 284478 8.764 110.971 8.764 1170716 8.766 120.870 8.172 622520 8.767 127.369 9.754 310745 8.792 128.068 8.303 60999 8.793 128.618 8.790 5050469 8.795 119.891 7.807 138016 8.795 121.866 9.617 179933 8.797 120.570 8.631 495879 8.802 120.968 8.798 2841525 8.803 107.049 9.087 428915 8.803 112.160 8.801 3739770 8.803 128.396 8.611 212834 8.804 109.890 8.096 1188565 8.808 127.826 10.218 145111 8.810 126.804 8.804 2674772 8.813 122.618 9.209 201121 8.817 128.207 8.821 1515736 8.818 122.550 7.923 508187 8.818 128.659 8.931 331189 8.826 113.123 7.447 1148146 8.828 122.161 8.124 143215 8.839 118.607 8.019 268010 8.841 124.083 8.838 3688781 8.847 114.176 9.085 498956 8.848 126.514 8.846 3233398 8.851 120.603 8.852 4169156 8.854 123.023 8.300 316254 8.860 121.633 9.020 435111 8.887 126.838 8.887 2488374 8.893 122.179 9.074 495195 8.896 124.110 9.150 161890 8.933 128.764 8.933 2577757 8.952 123.810 8.952 4045508 8.952 120.302 8.595 426112 8.957 124.223 8.484 130114 8.958 121.146 8.239 263581 8.960 120.843 8.169 693734 8.968 121.900 8.965 2048624 8.969 120.744 8.142 802230 8.970 126.840 8.498 797503 8.973 120.689 9.387 146004 8.974 127.425 9.759 102074 8.986 130.321 8.983 2595973 8.994 122.606 8.995 10028422 9.011 120.276 8.716 237651 9.015 122.129 8.624 666552 9.016 118.993 8.673 181974 9.017 126.904 9.011 3463038 9.018 120.587 8.853 644453 9.018 121.640 9.019 2633112 9.020 125.630 9.242 257858 9.024 115.806 6.855 234927 9.024 120.372 9.029 3805076 9.025 125.101 8.615 122752 9.027 123.322 8.316 458646 9.028 126.905 9.029 5442028 9.034 123.656 8.268 281066 9.040 130.933 9.039 2193230 9.040 124.973 8.621 139248 9.042 123.087 9.210 423238 9.069 126.804 8.891 505206 9.073 112.205 8.348 276195 9.073 122.189 9.074 4876128 9.083 126.805 8.810 402356 9.085 114.170 9.086 3784080 9.089 120.201 8.339 209405 9.090 107.081 9.088 3622103 9.092 126.454 8.848 381510 9.098 121.362 7.275 317760 9.105 122.056 8.402 279115 9.111 124.047 8.094 165068 9.141 116.085 8.010 220046 9.147 114.424 6.556 122467 9.150 115.207 9.149 726533 9.151 124.103 9.153 3328922 9.152 125.752 9.740 156720 9.152 114.597 7.985 197922 9.152 114.590 6.550 103469 9.154 118.435 8.580 772680 9.154 120.319 9.155 4942800 9.159 130.886 9.044 481563 9.167 119.811 7.791 313500 9.206 126.916 9.037 371792 9.209 122.013 8.145 147887 9.210 122.827 9.209 2800230 9.211 120.533 8.631 167256 9.212 123.122 9.207 2542416 9.229 119.835 7.786 283514 9.232 122.197 8.624 175471 9.239 106.899 7.830 768842 9.241 125.601 9.242 4126162 9.393 120.591 9.389 2652077 9.399 120.377 9.515 321038 9.406 121.837 8.572 176319 9.445 120.966 8.618 135490 9.451 128.386 8.611 184062 9.452 117.693 9.451 2905278 9.461 127.801 10.229 308510 9.483 123.779 9.481 2568642 9.485 119.092 8.672 166225 9.491 125.049 8.572 163430 9.518 120.390 9.516 1849376 9.543 120.768 8.136 302200 9.558 114.178 9.558 2702923 9.560 122.890 8.127 898582 9.561 116.672 8.415 429904 9.617 121.781 9.616 2835349 9.618 119.765 7.814 551574 9.619 120.804 8.051 335990 9.621 128.648 8.787 178921 9.730 114.509 7.987 164100 9.738 116.130 8.006 241762 9.741 114.603 6.551 170435 9.742 116.708 8.415 267575 9.743 120.330 9.154 180406 9.744 118.378 8.572 126031 9.745 125.881 9.742 2848964 9.749 120.271 8.337 284753 9.755 127.392 9.755 2319642 9.757 110.957 8.765 191362 10.228 117.708 9.450 377644 10.230 126.853 8.804 196210 10.231 127.774 10.230 1686106 10.233 120.352 9.514 125786 10.239 120.270 8.338 228030 10.257 128.736 10.254 8492042 10.258 116.114 8.008 214233 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 39.690 -38.008 -6.169 2 H2 MET 1 2H MET 1 40.861 -37.016 -5.459 3 H3 MET 1 3H MET 1 41.073 -37.567 -7.043 4 HA MET 1 HA MET 1 40.401 -35.265 -7.053 5 HB2 MET 1 2HB MET 1 38.206 -37.143 -7.989 6 HB3 MET 1 1HB MET 1 38.409 -35.478 -8.520 7 HG2 MET 1 2HG MET 1 40.373 -37.721 -8.967 8 HG3 MET 1 1HG MET 1 39.254 -37.071 -10.164 9 HE1 MET 1 3HE MET 1 41.324 -36.748 -11.824 10 HE2 MET 1 1HE MET 1 42.439 -37.349 -10.595 11 HE3 MET 1 2HE MET 1 42.767 -35.821 -11.412 12 H GLY 2 H GLY 2 38.224 -33.925 -6.989 13 HA2 GLY 2 2HA GLY 2 36.412 -33.115 -5.773 14 HA3 GLY 2 1HA GLY 2 36.479 -34.546 -4.759 15 H HIS 3 H HIS 3 38.556 -31.716 -5.447 16 HA HIS 3 HA HIS 3 39.468 -31.687 -2.677 17 HB2 HIS 3 2HB HIS 3 41.093 -31.407 -4.508 18 HB3 HIS 3 1HB HIS 3 40.261 -29.947 -5.028 19 HD1 HIS 3 HD1 HIS 3 40.831 -27.793 -3.827 20 HD2 HIS 3 HD2 HIS 3 42.539 -31.137 -2.049 21 HE1 HIS 3 HE1 HIS 3 42.464 -26.899 -2.145 22 HE2 HIS 3 HE2 HIS 3 43.566 -28.935 -1.163 23 H HIS 4 H HIS 4 36.906 -30.305 -4.336 24 HA HIS 4 HA HIS 4 36.860 -27.674 -3.306 25 HB2 HIS 4 2HB HIS 4 34.544 -27.583 -4.000 26 HB3 HIS 4 1HB HIS 4 35.476 -28.439 -5.221 27 HD1 HIS 4 HD1 HIS 4 32.383 -28.647 -3.493 28 HD2 HIS 4 HD2 HIS 4 35.196 -31.436 -4.748 29 HE1 HIS 4 HE1 HIS 4 31.178 -30.842 -3.526 30 HE2 HIS 4 HE2 HIS 4 32.938 -32.536 -4.115 31 H HIS 5 H HIS 5 37.059 -27.333 -1.137 32 HA HIS 5 HA HIS 5 35.439 -28.883 0.734 33 HB2 HIS 5 2HB HIS 5 37.812 -28.289 1.257 34 HB3 HIS 5 1HB HIS 5 37.334 -26.597 1.328 35 HD1 HIS 5 HD1 HIS 5 37.028 -25.853 3.666 36 HD2 HIS 5 HD2 HIS 5 35.963 -29.838 3.176 37 HE1 HIS 5 HE1 HIS 5 36.286 -26.634 5.935 38 HE2 HIS 5 HE2 HIS 5 35.491 -28.995 5.573 39 H HIS 6 H HIS 6 33.349 -28.288 0.400 40 HA HIS 6 HA HIS 6 32.434 -25.719 -0.258 41 HB2 HIS 6 2HB HIS 6 31.170 -27.721 -0.798 42 HB3 HIS 6 1HB HIS 6 30.953 -28.084 0.909 43 HD1 HIS 6 HD1 HIS 6 28.831 -27.310 1.894 44 HD2 HIS 6 HD2 HIS 6 29.789 -25.185 -1.548 45 HE1 HIS 6 HE1 HIS 6 26.869 -25.812 1.463 46 HE2 HIS 6 HE2 HIS 6 27.405 -24.639 -0.696 47 H HIS 7 H HIS 7 32.104 -23.951 0.916 48 HA HIS 7 HA HIS 7 32.099 -24.059 3.830 49 HB2 HIS 7 2HB HIS 7 31.870 -21.683 1.959 50 HB3 HIS 7 1HB HIS 7 32.049 -21.591 3.706 51 HD1 HIS 7 HD1 HIS 7 33.991 -21.226 0.803 52 HD2 HIS 7 HD2 HIS 7 34.622 -23.114 4.452 53 HE1 HIS 7 HE1 HIS 7 36.482 -21.447 1.022 54 HE2 HIS 7 HE2 HIS 7 36.842 -22.442 3.303 55 H HIS 8 H HIS 8 30.397 -22.760 5.029 56 HA HIS 8 HA HIS 8 27.756 -22.748 3.804 57 HB2 HIS 8 2HB HIS 8 26.885 -24.295 5.659 58 HB3 HIS 8 1HB HIS 8 27.797 -25.046 4.352 59 HD1 HIS 8 HD1 HIS 8 29.806 -26.382 4.988 60 HD2 HIS 8 HD2 HIS 8 28.476 -23.974 8.100 61 HE1 HIS 8 HE1 HIS 8 31.196 -27.026 6.973 62 HE2 HIS 8 HE2 HIS 8 30.468 -25.466 8.806 63 H SER 9 H SER 9 26.229 -21.546 4.924 64 HA SER 9 HA SER 9 27.223 -20.042 7.262 65 HB2 SER 9 2HB SER 9 26.624 -18.585 5.421 66 HB3 SER 9 1HB SER 9 25.049 -19.364 5.257 67 HG SER 9 HG SER 9 25.439 -17.258 6.600 68 H HIS 10 H HIS 10 25.638 -19.484 8.939 69 HA HIS 10 HA HIS 10 23.473 -21.478 9.241 70 HB2 HIS 10 2HB HIS 10 25.380 -20.463 11.368 71 HB3 HIS 10 1HB HIS 10 23.963 -21.454 11.702 72 HD1 HIS 10 HD1 HIS 10 27.481 -21.652 10.657 73 HD2 HIS 10 HD2 HIS 10 24.153 -24.141 10.683 74 HE1 HIS 10 HE1 HIS 10 28.370 -23.964 10.278 75 HE2 HIS 10 HE2 HIS 10 26.338 -25.443 10.202 76 H GLU 11 H GLU 11 23.217 -18.838 8.153 77 HA GLU 11 HA GLU 11 21.962 -17.240 10.262 78 HB2 GLU 11 2HB GLU 11 22.409 -16.630 7.327 79 HB3 GLU 11 1HB GLU 11 21.753 -15.506 8.511 80 HG2 GLU 11 2HG GLU 11 23.855 -15.569 9.752 81 HG3 GLU 11 1HG GLU 11 24.513 -16.717 8.586 82 H HIS 12 H HIS 12 19.830 -16.158 9.688 83 HA HIS 12 HA HIS 12 17.976 -18.293 8.874 84 HB2 HIS 12 2HB HIS 12 17.440 -15.793 10.502 85 HB3 HIS 12 1HB HIS 12 16.301 -17.105 10.208 86 HD1 HIS 12 HD1 HIS 12 19.132 -16.101 12.363 87 HD2 HIS 12 HD2 HIS 12 16.917 -19.531 11.598 88 HE1 HIS 12 HE1 HIS 12 19.691 -17.689 14.221 89 HE2 HIS 12 HE2 HIS 12 18.524 -19.828 13.601 90 H LYS 13 H LYS 13 16.962 -18.160 6.991 91 HA LYS 13 HA LYS 13 16.373 -15.505 5.821 92 HB2 LYS 13 2HB LYS 13 16.854 -18.140 4.399 93 HB3 LYS 13 1HB LYS 13 16.395 -16.636 3.609 94 HG2 LYS 13 2HG LYS 13 18.478 -15.595 4.330 95 HG3 LYS 13 1HG LYS 13 18.935 -17.070 5.180 96 HD2 LYS 13 2HD LYS 13 20.080 -16.937 3.036 97 HD3 LYS 13 1HD LYS 13 18.950 -18.292 3.044 98 HE2 LYS 13 2HE LYS 13 17.332 -16.977 1.784 99 HE3 LYS 13 1HE LYS 13 18.402 -15.576 1.835 100 HZ1 LYS 13 3HZ LYS 13 18.573 -16.703 -0.274 101 HZ2 LYS 13 1HZ LYS 13 18.980 -18.158 0.488 102 HZ3 LYS 13 2HZ LYS 13 20.031 -16.838 0.563 103 H ARG 14 H ARG 14 14.260 -14.993 5.734 104 HA ARG 14 HA ARG 14 12.245 -17.161 5.677 105 HB2 ARG 14 2HB ARG 14 12.286 -16.157 7.899 106 HB3 ARG 14 1HB ARG 14 12.151 -14.547 7.209 107 HG2 ARG 14 2HG ARG 14 10.015 -15.110 8.052 108 HG3 ARG 14 1HG ARG 14 9.908 -15.227 6.296 109 HD2 ARG 14 2HD ARG 14 8.766 -17.108 7.252 110 HD3 ARG 14 1HD ARG 14 10.249 -17.683 6.493 111 HE ARG 14 HE ARG 14 11.206 -17.914 8.699 112 HH11 ARG 14 1HH1 ARG 14 7.790 -17.443 8.577 113 HH12 ARG 14 2HH1 ARG 14 7.538 -18.095 10.157 114 HH21 ARG 14 1HH2 ARG 14 10.857 -18.754 10.723 115 HH22 ARG 14 2HH2 ARG 14 9.252 -18.808 11.363 116 H ALA 15 H ALA 15 10.782 -17.039 4.069 117 HA ALA 15 HA ALA 15 10.850 -14.888 2.154 118 HB1 ALA 15 3HB ALA 15 8.973 -17.252 2.330 119 HB2 ALA 15 1HB ALA 15 10.513 -17.221 1.469 120 HB3 ALA 15 2HB ALA 15 9.185 -16.192 0.935 121 HA PRO 16 HA PRO 16 7.780 -12.250 3.906 122 HB2 PRO 16 2HB PRO 16 6.752 -11.055 1.679 123 HB3 PRO 16 1HB PRO 16 8.351 -10.684 2.335 124 HG2 PRO 16 2HG PRO 16 7.607 -12.483 0.058 125 HG3 PRO 16 1HG PRO 16 8.936 -11.314 0.171 126 HD2 PRO 16 2HD PRO 16 9.306 -13.976 0.516 127 HD3 PRO 16 1HD PRO 16 10.274 -12.763 1.378 128 H MET 17 H MET 17 5.653 -12.144 4.449 129 HA MET 17 HA MET 17 3.643 -13.639 2.934 130 HB2 MET 17 2HB MET 17 4.464 -15.350 4.395 131 HB3 MET 17 1HB MET 17 4.480 -14.261 5.774 132 HG2 MET 17 2HG MET 17 2.648 -15.893 5.865 133 HG3 MET 17 1HG MET 17 2.070 -14.227 5.834 134 HE1 MET 17 3HE MET 17 -0.770 -16.032 3.891 135 HE2 MET 17 1HE MET 17 -0.358 -14.957 5.227 136 HE3 MET 17 2HE MET 17 0.118 -16.655 5.282 137 H PHE 18 H PHE 18 1.788 -12.489 2.851 138 HA PHE 18 HA PHE 18 1.326 -10.241 4.612 139 HB2 PHE 18 2HB PHE 18 -0.288 -11.461 2.364 140 HB3 PHE 18 1HB PHE 18 -0.914 -10.151 3.355 141 HD1 PHE 18 HD1 PHE 18 0.251 -7.938 3.341 142 HD2 PHE 18 HD2 PHE 18 1.231 -11.041 0.590 143 HE1 PHE 18 HE1 PHE 18 1.320 -6.289 1.861 144 HE2 PHE 18 HE2 PHE 18 2.311 -9.394 -0.884 145 HZ PHE 18 HZ PHE 18 2.353 -7.014 -0.250 146 H ILE 19 H ILE 19 0.803 -10.764 6.680 147 HA ILE 19 HA ILE 19 -0.795 -13.014 7.417 148 HB ILE 19 HB ILE 19 -0.177 -10.555 9.078 149 HG12 ILE 19 2HG1 ILE 19 1.359 -13.166 8.849 150 HG13 ILE 19 1HG1 ILE 19 1.881 -11.615 8.197 151 HG21 ILE 19 1HG2 ILE 19 -0.957 -13.362 9.892 152 HG22 ILE 19 2HG2 ILE 19 -1.982 -11.929 9.995 153 HG23 ILE 19 3HG2 ILE 19 -0.534 -12.051 10.994 154 HD11 ILE 19 3HD1 ILE 19 1.983 -10.714 10.480 155 HD12 ILE 19 1HD1 ILE 19 3.042 -12.106 10.252 156 HD13 ILE 19 2HD1 ILE 19 1.512 -12.295 11.108 157 H TYR 20 H TYR 20 -1.479 -9.648 6.724 158 HA TYR 20 HA TYR 20 -4.369 -10.226 6.870 159 HB2 TYR 20 2HB TYR 20 -3.035 -7.663 7.803 160 HB3 TYR 20 1HB TYR 20 -4.773 -7.913 7.681 161 HD1 TYR 20 HD1 TYR 20 -5.943 -9.348 9.296 162 HD2 TYR 20 HD2 TYR 20 -1.754 -8.651 9.607 163 HE1 TYR 20 HE1 TYR 20 -5.972 -10.217 11.596 164 HE2 TYR 20 HE2 TYR 20 -1.774 -9.518 11.904 165 HH TYR 20 HH TYR 20 -3.271 -9.891 13.714 166 H LYS 21 H LYS 21 -5.561 -9.450 5.163 167 HA LYS 21 HA LYS 21 -4.048 -8.191 2.987 168 HB2 LYS 21 2HB LYS 21 -5.904 -8.893 1.531 169 HB3 LYS 21 1HB LYS 21 -5.212 -10.247 2.412 170 HG2 LYS 21 2HG LYS 21 -7.076 -10.252 3.957 171 HG3 LYS 21 1HG LYS 21 -7.750 -8.812 3.187 172 HD2 LYS 21 2HD LYS 21 -7.971 -10.096 1.073 173 HD3 LYS 21 1HD LYS 21 -7.391 -11.533 1.918 174 HE2 LYS 21 2HE LYS 21 -9.840 -11.505 1.739 175 HE3 LYS 21 1HE LYS 21 -9.308 -11.448 3.420 176 HZ1 LYS 21 3HZ LYS 21 -10.133 -9.079 1.827 177 HZ2 LYS 21 1HZ LYS 21 -9.740 -9.098 3.471 178 HZ3 LYS 21 2HZ LYS 21 -11.125 -9.894 2.923 179 HA PRO 22 HA PRO 22 -6.040 -4.261 3.784 180 HB2 PRO 22 2HB PRO 22 -5.420 -3.040 1.411 181 HB3 PRO 22 1HB PRO 22 -4.264 -3.247 2.734 182 HG2 PRO 22 2HG PRO 22 -4.614 -4.886 0.247 183 HG3 PRO 22 1HG PRO 22 -3.117 -4.327 1.018 184 HD2 PRO 22 2HD PRO 22 -4.033 -6.853 1.315 185 HD3 PRO 22 1HD PRO 22 -3.159 -6.006 2.610 186 H GLN 23 H GLN 23 -8.168 -3.904 3.684 187 HA GLN 23 HA GLN 23 -9.680 -4.908 1.375 188 HB2 GLN 23 2HB GLN 23 -11.659 -4.721 2.889 189 HB3 GLN 23 1HB GLN 23 -10.425 -5.848 3.431 190 HG2 GLN 23 2HG GLN 23 -9.564 -3.979 4.913 191 HG3 GLN 23 1HG GLN 23 -11.059 -3.125 4.526 192 HE21 GLN 23 1HE2 GLN 23 -13.034 -3.991 5.258 193 HE22 GLN 23 2HE2 GLN 23 -13.088 -5.147 6.536 194 H SER 24 H SER 24 -11.283 -3.686 0.364 195 HA SER 24 HA SER 24 -10.326 -1.228 -0.489 196 HB2 SER 24 2HB SER 24 -12.361 -1.029 -1.798 197 HB3 SER 24 1HB SER 24 -11.818 -2.707 -1.807 198 HG SER 24 HG SER 24 -14.181 -1.910 -1.221 199 H LYS 25 H LYS 25 -11.268 0.882 -0.490 200 HA LYS 25 HA LYS 25 -13.135 1.570 1.656 201 HB2 LYS 25 2HB LYS 25 -10.345 2.724 1.411 202 HB3 LYS 25 1HB LYS 25 -11.624 3.495 2.339 203 HG2 LYS 25 2HG LYS 25 -10.530 0.730 2.852 204 HG3 LYS 25 1HG LYS 25 -10.087 2.190 3.742 205 HD2 LYS 25 2HD LYS 25 -12.328 2.438 4.577 206 HD3 LYS 25 1HD LYS 25 -12.915 1.136 3.538 207 HE2 LYS 25 2HE LYS 25 -10.940 0.847 5.805 208 HE3 LYS 25 1HE LYS 25 -12.640 0.377 5.843 209 HZ1 LYS 25 3HZ LYS 25 -11.234 -1.522 5.420 210 HZ2 LYS 25 1HZ LYS 25 -10.560 -0.773 4.058 211 HZ3 LYS 25 2HZ LYS 25 -12.194 -1.206 4.062 212 H LYS 26 H LYS 26 -14.366 3.387 1.224 213 HA LYS 26 HA LYS 26 -13.711 4.924 -1.207 214 HB2 LYS 26 2HB LYS 26 -16.124 5.339 -1.486 215 HB3 LYS 26 1HB LYS 26 -15.730 3.628 -1.562 216 HG2 LYS 26 2HG LYS 26 -16.524 3.333 0.736 217 HG3 LYS 26 1HG LYS 26 -16.903 5.054 0.826 218 HD2 LYS 26 2HD LYS 26 -18.922 3.768 0.365 219 HD3 LYS 26 1HD LYS 26 -18.516 4.785 -1.019 220 HE2 LYS 26 2HE LYS 26 -17.490 2.842 -2.129 221 HE3 LYS 26 1HE LYS 26 -17.924 1.832 -0.749 222 HZ1 LYS 26 3HZ LYS 26 -19.816 3.244 -2.550 223 HZ2 LYS 26 1HZ LYS 26 -20.261 2.333 -1.194 224 HZ3 LYS 26 2HZ LYS 26 -19.521 1.580 -2.516 225 H VAL 27 H VAL 27 -13.570 7.092 -1.040 226 HA VAL 27 HA VAL 27 -14.426 8.408 1.457 227 HB VAL 27 HB VAL 27 -12.308 9.722 1.487 228 HG11 VAL 27 1HG1 VAL 27 -10.890 7.964 2.440 229 HG12 VAL 27 2HG1 VAL 27 -11.920 6.730 1.713 230 HG13 VAL 27 3HG1 VAL 27 -12.564 7.790 2.967 231 HG21 VAL 27 3HG2 VAL 27 -10.369 8.890 0.203 232 HG22 VAL 27 1HG2 VAL 27 -11.660 9.485 -0.843 233 HG23 VAL 27 2HG2 VAL 27 -11.427 7.750 -0.629 234 H LEU 28 H LEU 28 -13.989 10.918 1.178 235 HA LEU 28 HA LEU 28 -15.263 11.694 -1.351 236 HB2 LEU 28 2HB LEU 28 -15.035 13.156 1.284 237 HB3 LEU 28 1HB LEU 28 -15.830 13.792 -0.141 238 HG LEU 28 HG LEU 28 -16.703 11.297 1.330 239 HD11 LEU 28 1HD1 LEU 28 -17.014 13.293 2.712 240 HD12 LEU 28 2HD1 LEU 28 -18.560 12.640 2.170 241 HD13 LEU 28 3HD1 LEU 28 -17.888 14.075 1.395 242 HD21 LEU 28 3HD2 LEU 28 -17.306 11.280 -1.035 243 HD22 LEU 28 1HD2 LEU 28 -18.034 12.878 -0.874 244 HD23 LEU 28 2HD2 LEU 28 -18.736 11.499 -0.026 245 H GLU 29 H GLU 29 -14.614 13.725 -2.379 246 HA GLU 29 HA GLU 29 -11.841 13.805 -2.890 247 HB2 GLU 29 2HB GLU 29 -13.958 15.861 -3.569 248 HB3 GLU 29 1HB GLU 29 -12.320 15.858 -4.209 249 HG2 GLU 29 2HG GLU 29 -12.831 13.545 -5.117 250 HG3 GLU 29 1HG GLU 29 -14.518 13.875 -4.720 251 H GLY 30 H GLY 30 -10.357 14.462 -1.478 252 HA2 GLY 30 2HA GLY 30 -9.244 16.439 -0.557 253 HA3 GLY 30 1HA GLY 30 -10.816 17.008 -0.025 254 H ASP 31 H ASP 31 -10.860 13.782 0.562 255 HA ASP 31 HA ASP 31 -9.956 14.146 3.337 256 HB2 ASP 31 2HB ASP 31 -11.873 12.166 2.096 257 HB3 ASP 31 1HB ASP 31 -11.318 12.063 3.768 258 H SER 32 H SER 32 -9.431 11.727 4.263 259 HA SER 32 HA SER 32 -7.188 10.769 2.590 260 HB2 SER 32 2HB SER 32 -5.866 10.464 4.624 261 HB3 SER 32 1HB SER 32 -6.406 12.137 4.498 262 HG SER 32 HG SER 32 -6.998 11.730 6.502 263 H VAL 33 H VAL 33 -6.443 8.602 3.014 264 HA VAL 33 HA VAL 33 -8.264 6.802 4.444 265 HB VAL 33 HB VAL 33 -8.969 6.808 2.043 266 HG11 VAL 33 1HG1 VAL 33 -6.823 7.256 1.002 267 HG12 VAL 33 2HG1 VAL 33 -7.501 5.755 0.371 268 HG13 VAL 33 3HG1 VAL 33 -6.199 5.702 1.562 269 HG21 VAL 33 3HG2 VAL 33 -8.993 4.366 1.768 270 HG22 VAL 33 1HG2 VAL 33 -9.362 4.838 3.426 271 HG23 VAL 33 2HG2 VAL 33 -7.762 4.214 3.023 272 H LYS 34 H LYS 34 -7.248 4.787 5.064 273 HA LYS 34 HA LYS 34 -4.311 4.763 4.758 274 HB2 LYS 34 2HB LYS 34 -4.072 3.849 6.966 275 HB3 LYS 34 1HB LYS 34 -5.053 5.302 7.077 276 HG2 LYS 34 2HG LYS 34 -7.033 4.068 7.456 277 HG3 LYS 34 1HG LYS 34 -6.274 2.554 6.957 278 HD2 LYS 34 2HD LYS 34 -4.704 2.827 8.929 279 HD3 LYS 34 1HD LYS 34 -5.744 4.146 9.470 280 HE2 LYS 34 2HE LYS 34 -7.617 2.657 9.699 281 HE3 LYS 34 1HE LYS 34 -6.720 1.335 8.952 282 HZ1 LYS 34 3HZ LYS 34 -6.748 1.052 11.318 283 HZ2 LYS 34 1HZ LYS 34 -6.131 2.606 11.568 284 HZ3 LYS 34 2HZ LYS 34 -5.170 1.421 10.838 285 H LEU 35 H LEU 35 -3.406 2.956 3.976 286 HA LEU 35 HA LEU 35 -4.988 0.450 3.933 287 HB2 LEU 35 2HB LEU 35 -2.953 1.402 1.898 288 HB3 LEU 35 1HB LEU 35 -3.810 -0.129 1.844 289 HG LEU 35 HG LEU 35 -5.092 2.605 1.604 290 HD11 LEU 35 1HD1 LEU 35 -5.470 1.990 -0.737 291 HD12 LEU 35 2HD1 LEU 35 -4.567 0.496 -0.494 292 HD13 LEU 35 3HD1 LEU 35 -3.750 2.054 -0.355 293 HD21 LEU 35 3HD2 LEU 35 -6.287 -0.157 1.327 294 HD22 LEU 35 1HD2 LEU 35 -7.118 1.363 0.992 295 HD23 LEU 35 2HD2 LEU 35 -6.597 0.988 2.634 296 H GLU 36 H GLU 36 -4.094 -0.978 5.357 297 HA GLU 36 HA GLU 36 -1.165 -1.046 5.586 298 HB2 GLU 36 2HB GLU 36 -1.344 -1.252 8.048 299 HB3 GLU 36 1HB GLU 36 -1.891 0.304 7.441 300 HG2 GLU 36 2HG GLU 36 -4.218 -0.424 7.660 301 HG3 GLU 36 1HG GLU 36 -3.673 -1.987 8.264 302 H CYS 37 H CYS 37 -0.239 -2.959 6.341 303 HA CYS 37 HA CYS 37 -1.863 -5.322 6.796 304 HB2 CYS 37 2HB CYS 37 -0.800 -6.611 4.957 305 HB3 CYS 37 1HB CYS 37 -1.787 -5.286 4.351 306 HG CYS 37 HG CYS 37 0.469 -3.606 3.920 307 H GLN 38 H GLN 38 -0.487 -7.224 7.363 308 HA GLN 38 HA GLN 38 2.058 -6.367 8.600 309 HB2 GLN 38 2HB GLN 38 0.234 -8.681 9.316 310 HB3 GLN 38 1HB GLN 38 1.763 -8.327 10.108 311 HG2 GLN 38 2HG GLN 38 -0.621 -6.480 10.059 312 HG3 GLN 38 1HG GLN 38 -0.220 -7.577 11.377 313 HE21 GLN 38 1HE2 GLN 38 2.654 -7.118 11.174 314 HE22 GLN 38 2HE2 GLN 38 2.928 -5.538 11.813 315 H ILE 39 H ILE 39 3.871 -7.086 7.658 316 HA ILE 39 HA ILE 39 3.793 -9.620 6.132 317 HB ILE 39 HB ILE 39 5.608 -7.240 5.665 318 HG12 ILE 39 2HG1 ILE 39 3.284 -8.297 4.022 319 HG13 ILE 39 1HG1 ILE 39 3.281 -6.813 4.969 320 HG21 ILE 39 1HG2 ILE 39 6.330 -8.465 3.643 321 HG22 ILE 39 2HG2 ILE 39 5.349 -9.843 4.144 322 HG23 ILE 39 3HG2 ILE 39 6.724 -9.335 5.126 323 HD11 ILE 39 3HD1 ILE 39 5.015 -5.886 3.523 324 HD12 ILE 39 1HD1 ILE 39 3.581 -6.355 2.609 325 HD13 ILE 39 2HD1 ILE 39 5.018 -7.376 2.577 326 H SER 40 H SER 40 5.010 -11.239 6.921 327 HA SER 40 HA SER 40 7.188 -10.611 8.818 328 HB2 SER 40 2HB SER 40 5.458 -12.129 9.684 329 HB3 SER 40 1HB SER 40 5.726 -13.227 8.332 330 HG SER 40 HG SER 40 7.357 -12.700 10.561 331 H ALA 41 H ALA 41 9.009 -10.297 7.623 332 HA ALA 41 HA ALA 41 9.945 -12.557 5.977 333 HB1 ALA 41 3HB ALA 41 10.850 -11.058 4.308 334 HB2 ALA 41 1HB ALA 41 10.254 -9.661 5.206 335 HB3 ALA 41 2HB ALA 41 9.115 -10.796 4.482 336 H ILE 42 H ILE 42 12.239 -12.799 5.822 337 HA ILE 42 HA ILE 42 13.929 -10.999 7.408 338 HB ILE 42 HB ILE 42 14.014 -14.014 7.753 339 HG12 ILE 42 2HG1 ILE 42 13.231 -11.836 9.719 340 HG13 ILE 42 1HG1 ILE 42 12.137 -13.002 8.984 341 HG21 ILE 42 1HG2 ILE 42 15.781 -13.589 9.400 342 HG22 ILE 42 2HG2 ILE 42 15.710 -11.865 9.036 343 HG23 ILE 42 3HG2 ILE 42 16.243 -13.006 7.801 344 HD11 ILE 42 3HD1 ILE 42 14.386 -13.635 10.881 345 HD12 ILE 42 1HD1 ILE 42 13.308 -14.816 10.136 346 HD13 ILE 42 2HD1 ILE 42 12.665 -13.621 11.262 347 HA PRO 43 HA PRO 43 15.329 -9.728 6.963 348 HB2 PRO 43 2HB PRO 43 16.476 -8.047 5.209 349 HB3 PRO 43 1HB PRO 43 17.434 -9.240 6.096 350 HG2 PRO 43 2HG PRO 43 16.379 -9.379 3.287 351 HG3 PRO 43 1HG PRO 43 18.003 -9.765 3.887 352 HD2 PRO 43 2HD PRO 43 16.098 -11.663 3.419 353 HD3 PRO 43 1HD PRO 43 17.368 -11.844 4.645 354 HA PRO 44 HA PRO 44 11.739 -7.484 5.480 355 HB2 PRO 44 2HB PRO 44 12.661 -4.854 5.248 356 HB3 PRO 44 1HB PRO 44 12.046 -5.598 6.727 357 HG2 PRO 44 2HG PRO 44 14.874 -5.242 5.820 358 HG3 PRO 44 1HG PRO 44 14.187 -5.062 7.445 359 HD2 PRO 44 2HD PRO 44 15.582 -7.238 6.783 360 HD3 PRO 44 1HD PRO 44 14.137 -7.366 7.810 361 HA PRO 45 HA PRO 45 12.540 -7.495 1.095 362 HB2 PRO 45 2HB PRO 45 10.026 -7.696 0.235 363 HB3 PRO 45 1HB PRO 45 10.759 -8.988 1.194 364 HG2 PRO 45 2HG PRO 45 8.835 -6.861 2.051 365 HG3 PRO 45 1HG PRO 45 8.891 -8.572 2.509 366 HD2 PRO 45 2HD PRO 45 9.914 -6.455 4.014 367 HD3 PRO 45 1HD PRO 45 10.339 -8.164 4.216 368 H LYS 46 H LYS 46 11.997 -6.309 -0.899 369 HA LYS 46 HA LYS 46 11.776 -3.458 -0.449 370 HB2 LYS 46 2HB LYS 46 13.357 -4.467 -2.106 371 HB3 LYS 46 1HB LYS 46 11.973 -4.968 -3.066 372 HG2 LYS 46 2HG LYS 46 12.920 -2.959 -3.997 373 HG3 LYS 46 1HG LYS 46 11.325 -2.601 -3.327 374 HD2 LYS 46 2HD LYS 46 12.382 -1.691 -1.302 375 HD3 LYS 46 1HD LYS 46 13.975 -2.057 -1.968 376 HE2 LYS 46 2HE LYS 46 13.503 -0.525 -3.851 377 HE3 LYS 46 1HE LYS 46 11.951 -0.127 -3.115 378 HZ1 LYS 46 3HZ LYS 46 13.600 1.535 -2.599 379 HZ2 LYS 46 1HZ LYS 46 14.627 0.374 -1.931 380 HZ3 LYS 46 2HZ LYS 46 13.152 0.728 -1.184 381 H LEU 47 H LEU 47 9.986 -2.224 -0.715 382 HA LEU 47 HA LEU 47 7.490 -3.603 -1.422 383 HB2 LEU 47 2HB LEU 47 7.880 -0.941 -0.040 384 HB3 LEU 47 1HB LEU 47 6.362 -1.797 -0.237 385 HG LEU 47 HG LEU 47 8.707 -2.767 1.412 386 HD11 LEU 47 1HD1 LEU 47 7.274 -2.301 3.344 387 HD12 LEU 47 2HD1 LEU 47 6.061 -1.598 2.273 388 HD13 LEU 47 3HD1 LEU 47 7.644 -0.837 2.434 389 HD21 LEU 47 3HD2 LEU 47 7.156 -4.489 2.204 390 HD22 LEU 47 1HD2 LEU 47 7.422 -4.606 0.465 391 HD23 LEU 47 2HD2 LEU 47 5.928 -3.899 1.082 392 H PHE 48 H PHE 48 6.208 -3.001 -3.085 393 HA PHE 48 HA PHE 48 6.823 -0.516 -4.565 394 HB2 PHE 48 2HB PHE 48 6.182 -3.228 -5.764 395 HB3 PHE 48 1HB PHE 48 6.288 -1.728 -6.678 396 HD1 PHE 48 HD1 PHE 48 8.473 -0.584 -6.930 397 HD2 PHE 48 HD2 PHE 48 8.137 -4.428 -5.119 398 HE1 PHE 48 HE1 PHE 48 10.885 -0.946 -7.257 399 HE2 PHE 48 HE2 PHE 48 10.547 -4.792 -5.443 400 HZ PHE 48 HZ PHE 48 11.925 -3.053 -6.513 401 H TRP 49 H TRP 49 5.057 0.686 -5.175 402 HA TRP 49 HA TRP 49 2.378 -0.521 -4.840 403 HB2 TRP 49 2HB TRP 49 3.342 2.208 -3.991 404 HB3 TRP 49 1HB TRP 49 1.636 1.883 -4.267 405 HD1 TRP 49 HD1 TRP 49 4.487 1.043 -1.848 406 HE1 TRP 49 HE1 TRP 49 3.472 0.054 0.299 407 HE3 TRP 49 HE3 TRP 49 -0.376 0.604 -3.369 408 HZ2 TRP 49 HZ2 TRP 49 0.950 -0.793 1.231 409 HZ3 TRP 49 HZ3 TRP 49 -2.028 -0.304 -1.786 410 HH2 TRP 49 HH2 TRP 49 -1.377 -0.988 0.468 411 H LYS 50 H LYS 50 1.004 -0.333 -6.488 412 HA LYS 50 HA LYS 50 1.590 1.581 -8.663 413 HB2 LYS 50 2HB LYS 50 2.443 -0.571 -9.367 414 HB3 LYS 50 1HB LYS 50 0.931 -1.360 -8.931 415 HG2 LYS 50 2HG LYS 50 -0.201 0.001 -10.696 416 HG3 LYS 50 1HG LYS 50 1.390 0.591 -11.184 417 HD2 LYS 50 2HD LYS 50 0.485 -2.295 -11.171 418 HD3 LYS 50 1HD LYS 50 0.659 -1.271 -12.597 419 HE2 LYS 50 2HE LYS 50 3.068 -1.066 -12.137 420 HE3 LYS 50 1HE LYS 50 2.882 -2.117 -10.731 421 HZ1 LYS 50 3HZ LYS 50 3.676 -3.377 -12.590 422 HZ2 LYS 50 1HZ LYS 50 2.399 -2.853 -13.568 423 HZ3 LYS 50 2HZ LYS 50 2.092 -3.862 -12.245 424 H ARG 51 H ARG 51 -0.146 2.735 -9.318 425 HA ARG 51 HA ARG 51 -2.863 1.772 -8.619 426 HB2 ARG 51 2HB ARG 51 -2.327 3.765 -7.350 427 HB3 ARG 51 1HB ARG 51 -1.792 4.598 -8.805 428 HG2 ARG 51 2HG ARG 51 -4.168 4.352 -9.661 429 HG3 ARG 51 1HG ARG 51 -4.600 3.835 -8.031 430 HD2 ARG 51 2HD ARG 51 -5.013 6.252 -8.447 431 HD3 ARG 51 1HD ARG 51 -3.901 5.950 -7.114 432 HE ARG 51 HE ARG 51 -2.362 7.164 -8.251 433 HH11 ARG 51 1HH1 ARG 51 -4.538 5.867 -10.596 434 HH12 ARG 51 2HH1 ARG 51 -3.747 6.652 -11.920 435 HH21 ARG 51 1HH2 ARG 51 -1.388 8.178 -9.952 436 HH22 ARG 51 2HH2 ARG 51 -1.989 7.939 -11.558 437 H ASN 52 H ASN 52 -3.988 1.148 -10.400 438 HA ASN 52 HA ASN 52 -4.777 1.026 -12.550 439 HB2 ASN 52 2HB ASN 52 -4.101 3.982 -12.567 440 HB3 ASN 52 1HB ASN 52 -5.110 3.171 -13.758 441 HD21 ASN 52 1HD2 ASN 52 -5.858 5.351 -12.109 442 HD22 ASN 52 2HD2 ASN 52 -7.168 4.820 -11.116 443 H ASN 53 H ASN 53 -2.061 0.298 -12.222 444 HA ASN 53 HA ASN 53 -0.171 -0.184 -13.366 445 HB2 ASN 53 2HB ASN 53 -1.749 0.799 -15.751 446 HB3 ASN 53 1HB ASN 53 -0.200 -0.036 -15.851 447 HD21 ASN 53 1HD2 ASN 53 -2.757 -0.869 -16.914 448 HD22 ASN 53 2HD2 ASN 53 -3.102 -2.401 -16.188 449 H GLU 54 H GLU 54 -0.779 2.603 -12.331 450 HA GLU 54 HA GLU 54 1.460 3.999 -13.653 451 HB2 GLU 54 2HB GLU 54 -0.648 5.054 -11.742 452 HB3 GLU 54 1HB GLU 54 0.666 6.007 -12.413 453 HG2 GLU 54 2HG GLU 54 -0.237 5.736 -14.648 454 HG3 GLU 54 1HG GLU 54 -1.511 4.686 -14.027 455 H MET 55 H MET 55 3.354 4.283 -12.572 456 HA MET 55 HA MET 55 3.829 2.889 -10.130 457 HB2 MET 55 2HB MET 55 5.527 3.207 -11.927 458 HB3 MET 55 1HB MET 55 5.597 4.916 -11.525 459 HG2 MET 55 2HG MET 55 7.406 4.171 -10.360 460 HG3 MET 55 1HG MET 55 6.171 3.981 -9.122 461 HE1 MET 55 3HE MET 55 5.633 0.131 -8.967 462 HE2 MET 55 1HE MET 55 4.622 1.300 -9.813 463 HE3 MET 55 2HE MET 55 5.287 1.694 -8.228 464 H VAL 56 H VAL 56 3.276 3.582 -8.150 465 HA VAL 56 HA VAL 56 2.573 6.353 -7.682 466 HB VAL 56 HB VAL 56 2.606 4.018 -5.749 467 HG11 VAL 56 1HG1 VAL 56 1.299 6.735 -5.493 468 HG12 VAL 56 2HG1 VAL 56 2.709 6.175 -4.593 469 HG13 VAL 56 3HG1 VAL 56 1.143 5.402 -4.348 470 HG21 VAL 56 3HG2 VAL 56 0.167 3.955 -6.111 471 HG22 VAL 56 1HG2 VAL 56 1.067 3.616 -7.590 472 HG23 VAL 56 2HG2 VAL 56 0.330 5.200 -7.351 473 H GLN 57 H GLN 57 3.981 7.865 -7.049 474 HA GLN 57 HA GLN 57 6.436 7.080 -5.638 475 HB2 GLN 57 2HB GLN 57 5.680 9.663 -7.021 476 HB3 GLN 57 1HB GLN 57 7.189 9.410 -6.154 477 HG2 GLN 57 2HG GLN 57 7.706 7.544 -7.716 478 HG3 GLN 57 1HG GLN 57 6.255 7.963 -8.626 479 HE21 GLN 57 1HE2 GLN 57 9.475 8.946 -7.762 480 HE22 GLN 57 2HE2 GLN 57 9.636 10.170 -8.969 481 H PHE 58 H PHE 58 7.143 8.340 -3.793 482 HA PHE 58 HA PHE 58 4.830 9.144 -2.125 483 HB2 PHE 58 2HB PHE 58 7.426 7.907 -1.171 484 HB3 PHE 58 1HB PHE 58 5.953 8.155 -0.236 485 HD1 PHE 58 HD1 PHE 58 3.889 6.847 -0.849 486 HD2 PHE 58 HD2 PHE 58 7.731 5.948 -2.451 487 HE1 PHE 58 HE1 PHE 58 3.091 4.614 -1.498 488 HE2 PHE 58 HE2 PHE 58 6.940 3.710 -3.100 489 HZ PHE 58 HZ PHE 58 4.615 3.042 -2.624 490 H ASN 59 H ASN 59 6.586 10.881 -3.785 491 HA ASN 59 HA ASN 59 8.234 12.339 -1.868 492 HB2 ASN 59 2HB ASN 59 8.955 13.640 -3.826 493 HB3 ASN 59 1HB ASN 59 9.100 11.910 -4.122 494 HD21 ASN 59 1HD2 ASN 59 7.357 14.807 -4.898 495 HD22 ASN 59 2HD2 ASN 59 6.523 14.175 -6.274 496 H THR 60 H THR 60 5.148 12.408 -1.841 497 HA THR 60 HA THR 60 4.884 15.345 -1.807 498 HB THR 60 HB THR 60 3.902 14.698 -3.923 499 HG1 THR 60 HG1 THR 60 2.050 15.791 -3.624 500 HG21 THR 60 3HG2 THR 60 2.127 12.812 -2.353 501 HG22 THR 60 1HG2 THR 60 3.453 12.325 -3.410 502 HG23 THR 60 2HG2 THR 60 2.036 13.128 -4.086 503 H ASP 61 H ASP 61 3.016 16.121 -0.590 504 HA ASP 61 HA ASP 61 2.701 14.780 1.901 505 HB2 ASP 61 2HB ASP 61 2.670 17.197 1.813 506 HB3 ASP 61 1HB ASP 61 1.304 17.185 0.705 507 H ARG 62 H ARG 62 0.877 14.785 -1.069 508 HA ARG 62 HA ARG 62 -1.598 13.863 0.036 509 HB2 ARG 62 2HB ARG 62 -0.605 13.636 -2.818 510 HB3 ARG 62 1HB ARG 62 -2.268 13.435 -2.283 511 HG2 ARG 62 2HG ARG 62 -2.282 15.796 -1.542 512 HG3 ARG 62 1HG ARG 62 -0.644 15.978 -2.173 513 HD2 ARG 62 2HD ARG 62 -2.047 16.825 -3.865 514 HD3 ARG 62 1HD ARG 62 -1.591 15.215 -4.419 515 HE ARG 62 HE ARG 62 -4.167 15.686 -3.064 516 HH11 ARG 62 1HH1 ARG 62 -2.392 14.530 -5.792 517 HH12 ARG 62 2HH1 ARG 62 -3.797 13.882 -6.559 518 HH21 ARG 62 1HH2 ARG 62 -5.958 14.898 -4.104 519 HH22 ARG 62 2HH2 ARG 62 -5.788 14.119 -5.641 520 H ILE 63 H ILE 63 1.368 12.279 -0.661 521 HA ILE 63 HA ILE 63 0.113 9.662 -0.159 522 HB ILE 63 HB ILE 63 2.190 10.176 -2.313 523 HG12 ILE 63 2HG1 ILE 63 -0.100 10.827 -2.990 524 HG13 ILE 63 1HG1 ILE 63 0.482 9.440 -3.903 525 HG21 ILE 63 1HG2 ILE 63 2.612 8.068 -1.192 526 HG22 ILE 63 2HG2 ILE 63 1.992 7.779 -2.816 527 HG23 ILE 63 3HG2 ILE 63 0.932 7.580 -1.420 528 HD11 ILE 63 3HD1 ILE 63 -0.840 7.961 -2.451 529 HD12 ILE 63 1HD1 ILE 63 -1.831 9.147 -3.300 530 HD13 ILE 63 2HD1 ILE 63 -1.450 9.378 -1.594 531 H SER 64 H SER 64 1.095 8.650 1.505 532 HA SER 64 HA SER 64 3.993 8.984 1.905 533 HB2 SER 64 2HB SER 64 1.921 9.344 4.096 534 HB3 SER 64 1HB SER 64 3.659 9.217 4.370 535 HG SER 64 HG SER 64 2.952 11.110 2.496 536 H LEU 65 H LEU 65 5.040 7.199 2.824 537 HA LEU 65 HA LEU 65 3.410 4.847 3.511 538 HB2 LEU 65 2HB LEU 65 3.918 4.625 1.131 539 HB3 LEU 65 1HB LEU 65 5.624 4.879 1.450 540 HG LEU 65 HG LEU 65 5.597 2.751 2.813 541 HD11 LEU 65 1HD1 LEU 65 3.224 2.621 3.277 542 HD12 LEU 65 2HD1 LEU 65 3.755 1.178 2.415 543 HD13 LEU 65 3HD1 LEU 65 2.872 2.441 1.558 544 HD21 LEU 65 3HD2 LEU 65 5.693 1.280 0.875 545 HD22 LEU 65 1HD2 LEU 65 6.470 2.823 0.523 546 HD23 LEU 65 2HD2 LEU 65 4.855 2.486 -0.104 547 H TYR 66 H TYR 66 4.216 3.728 5.235 548 HA TYR 66 HA TYR 66 7.112 3.715 5.672 549 HB2 TYR 66 2HB TYR 66 7.033 4.332 7.957 550 HB3 TYR 66 1HB TYR 66 6.052 5.526 7.118 551 HD1 TYR 66 HD2 TYR 66 3.579 5.503 7.374 552 HD2 TYR 66 HD1 TYR 66 6.068 2.821 9.565 553 HE1 TYR 66 HE2 TYR 66 1.716 5.024 8.908 554 HE2 TYR 66 HE1 TYR 66 4.210 2.342 11.100 555 HH TYR 66 HH TYR 66 1.033 3.124 10.443 556 H GLN 67 H GLN 67 7.903 1.905 6.800 557 HA GLN 67 HA GLN 67 5.936 -0.229 7.351 558 HB2 GLN 67 2HB GLN 67 7.754 -1.856 6.967 559 HB3 GLN 67 1HB GLN 67 7.420 -0.885 5.541 560 HG2 GLN 67 2HG GLN 67 9.394 0.422 5.874 561 HG3 GLN 67 1HG GLN 67 9.674 -0.304 7.456 562 HE21 GLN 67 1HE2 GLN 67 9.844 -0.798 4.012 563 HE22 GLN 67 2HE2 GLN 67 10.832 -2.211 4.068 564 H ASP 68 H ASP 68 5.927 -1.174 9.330 565 HA ASP 68 HA ASP 68 7.575 0.069 11.411 566 HB2 ASP 68 2HB ASP 68 5.052 -0.033 11.580 567 HB3 ASP 68 1HB ASP 68 5.194 -1.779 11.747 568 H ASN 69 H ASN 69 8.300 -1.411 13.235 569 HA ASN 69 HA ASN 69 9.986 -3.461 12.248 570 HB2 ASN 69 2HB ASN 69 10.615 -2.207 14.219 571 HB3 ASN 69 1HB ASN 69 9.178 -2.751 15.078 572 HD21 ASN 69 1HD2 ASN 69 12.253 -3.775 13.735 573 HD22 ASN 69 2HD2 ASN 69 12.421 -5.179 14.727 574 H THR 70 H THR 70 6.736 -3.516 13.536 575 HA THR 70 HA THR 70 6.572 -6.350 13.964 576 HB THR 70 HB THR 70 4.156 -6.044 14.066 577 HG1 THR 70 HG1 THR 70 3.322 -3.879 13.637 578 HG21 THR 70 3HG2 THR 70 5.607 -3.742 15.393 579 HG22 THR 70 1HG2 THR 70 5.421 -5.369 16.051 580 HG23 THR 70 2HG2 THR 70 4.006 -4.337 15.836 581 H GLY 71 H GLY 71 7.020 -4.666 11.165 582 HA2 GLY 71 2HA GLY 71 6.975 -5.465 8.969 583 HA3 GLY 71 1HA GLY 71 5.959 -6.801 9.490 584 H ARG 72 H ARG 72 4.810 -3.864 10.676 585 HA ARG 72 HA ARG 72 2.459 -3.978 9.048 586 HB2 ARG 72 2HB ARG 72 2.411 -3.284 11.415 587 HB3 ARG 72 1HB ARG 72 3.362 -1.859 11.019 588 HG2 ARG 72 2HG ARG 72 1.518 -1.070 9.565 589 HG3 ARG 72 1HG ARG 72 0.563 -2.469 10.061 590 HD2 ARG 72 2HD ARG 72 0.661 -1.721 12.387 591 HD3 ARG 72 1HD ARG 72 1.643 -0.336 11.910 592 HE ARG 72 HE ARG 72 -0.998 -0.599 10.692 593 HH11 ARG 72 1HH1 ARG 72 0.971 0.906 13.086 594 HH12 ARG 72 2HH1 ARG 72 -0.100 2.249 13.277 595 HH21 ARG 72 1HH2 ARG 72 -2.370 1.132 10.956 596 HH22 ARG 72 2HH2 ARG 72 -1.963 2.373 12.092 597 H VAL 73 H VAL 73 2.567 -3.374 6.966 598 HA VAL 73 HA VAL 73 4.063 -0.972 6.183 599 HB VAL 73 HB VAL 73 2.585 -2.986 4.462 600 HG11 VAL 73 1HG1 VAL 73 4.458 -0.743 3.690 601 HG12 VAL 73 2HG1 VAL 73 2.726 -0.824 3.362 602 HG13 VAL 73 3HG1 VAL 73 3.824 -1.965 2.587 603 HG21 VAL 73 3HG2 VAL 73 4.512 -3.973 5.622 604 HG22 VAL 73 1HG2 VAL 73 5.549 -2.697 4.983 605 HG23 VAL 73 2HG2 VAL 73 4.797 -3.855 3.885 606 H THR 74 H THR 74 3.014 0.943 6.178 607 HA THR 74 HA THR 74 0.072 0.936 5.818 608 HB THR 74 HB THR 74 1.658 2.773 7.629 609 HG1 THR 74 HG1 THR 74 0.774 0.308 8.056 610 HG21 THR 74 3HG2 THR 74 -0.323 3.874 6.699 611 HG22 THR 74 1HG2 THR 74 -0.548 3.538 8.416 612 HG23 THR 74 2HG2 THR 74 -1.331 2.519 7.208 613 H LEU 75 H LEU 75 -0.552 1.968 4.057 614 HA LEU 75 HA LEU 75 1.019 4.219 2.996 615 HB2 LEU 75 2HB LEU 75 0.514 2.389 1.427 616 HB3 LEU 75 1HB LEU 75 -1.201 2.597 1.725 617 HG LEU 75 HG LEU 75 -1.020 4.915 0.773 618 HD11 LEU 75 1HD1 LEU 75 0.948 5.435 -0.614 619 HD12 LEU 75 2HD1 LEU 75 1.750 3.992 0.011 620 HD13 LEU 75 3HD1 LEU 75 1.337 5.316 1.102 621 HD21 LEU 75 3HD2 LEU 75 -0.246 2.637 -1.052 622 HD22 LEU 75 1HD2 LEU 75 -0.933 4.178 -1.566 623 HD23 LEU 75 2HD2 LEU 75 -1.884 3.079 -0.567 624 H LEU 76 H LEU 76 0.308 6.237 3.355 625 HA LEU 76 HA LEU 76 -2.520 6.665 4.098 626 HB2 LEU 76 2HB LEU 76 -0.104 8.408 4.650 627 HB3 LEU 76 1HB LEU 76 -1.748 8.746 5.162 628 HG LEU 76 HG LEU 76 -0.074 6.401 6.096 629 HD11 LEU 76 1HD1 LEU 76 -0.032 7.581 8.252 630 HD12 LEU 76 2HD1 LEU 76 -0.853 8.954 7.507 631 HD13 LEU 76 3HD1 LEU 76 0.768 8.501 6.978 632 HD21 LEU 76 3HD2 LEU 76 -1.878 6.023 7.705 633 HD22 LEU 76 1HD2 LEU 76 -2.471 5.887 6.050 634 HD23 LEU 76 2HD2 LEU 76 -2.806 7.342 6.990 635 H ILE 77 H ILE 77 -3.728 7.474 2.533 636 HA ILE 77 HA ILE 77 -2.511 9.198 0.466 637 HB ILE 77 HB ILE 77 -5.133 7.682 0.373 638 HG12 ILE 77 2HG1 ILE 77 -2.522 7.066 -1.044 639 HG13 ILE 77 1HG1 ILE 77 -3.105 6.213 0.381 640 HG21 ILE 77 1HG2 ILE 77 -3.664 9.173 -1.808 641 HG22 ILE 77 2HG2 ILE 77 -5.143 9.705 -1.009 642 HG23 ILE 77 3HG2 ILE 77 -5.156 8.251 -2.006 643 HD11 ILE 77 3HD1 ILE 77 -5.038 5.427 -0.870 644 HD12 ILE 77 1HD1 ILE 77 -3.532 4.967 -1.665 645 HD13 ILE 77 2HD1 ILE 77 -4.486 6.310 -2.295 646 H LYS 78 H LYS 78 -2.838 11.312 0.804 647 HA LYS 78 HA LYS 78 -5.216 12.219 2.296 648 HB2 LYS 78 2HB LYS 78 -2.739 13.823 1.644 649 HB3 LYS 78 1HB LYS 78 -4.002 14.235 2.792 650 HG2 LYS 78 2HG LYS 78 -3.303 12.401 4.240 651 HG3 LYS 78 1HG LYS 78 -2.054 11.949 3.071 652 HD2 LYS 78 2HD LYS 78 -1.159 14.310 3.316 653 HD3 LYS 78 1HD LYS 78 -2.252 14.491 4.686 654 HE2 LYS 78 2HE LYS 78 -1.147 12.673 5.847 655 HE3 LYS 78 1HE LYS 78 -0.106 12.381 4.451 656 HZ1 LYS 78 3HZ LYS 78 1.126 13.663 5.989 657 HZ2 LYS 78 1HZ LYS 78 -0.135 14.770 6.208 658 HZ3 LYS 78 2HZ LYS 78 0.697 14.713 4.736 659 H ASP 79 H ASP 79 -6.460 13.977 1.556 660 HA ASP 79 HA ASP 79 -7.435 15.439 0.112 661 HB2 ASP 79 2HB ASP 79 -5.181 16.482 0.521 662 HB3 ASP 79 1HB ASP 79 -4.628 15.753 -0.983 663 H VAL 80 H VAL 80 -7.245 12.616 -0.755 664 HA VAL 80 HA VAL 80 -6.626 12.514 -3.534 665 HB VAL 80 HB VAL 80 -6.601 10.548 -1.953 666 HG11 VAL 80 1HG1 VAL 80 -9.586 10.615 -2.351 667 HG12 VAL 80 2HG1 VAL 80 -8.736 10.957 -0.842 668 HG13 VAL 80 3HG1 VAL 80 -8.675 9.340 -1.545 669 HG21 VAL 80 3HG2 VAL 80 -8.187 10.250 -4.504 670 HG22 VAL 80 1HG2 VAL 80 -7.446 8.921 -3.610 671 HG23 VAL 80 2HG2 VAL 80 -6.433 10.172 -4.327 672 H ASN 81 H ASN 81 -7.890 12.863 -5.296 673 HA ASN 81 HA ASN 81 -10.783 13.259 -4.874 674 HB2 ASN 81 2HB ASN 81 -10.704 14.953 -6.727 675 HB3 ASN 81 1HB ASN 81 -9.867 15.438 -5.259 676 HD21 ASN 81 1HD2 ASN 81 -9.574 14.744 -8.600 677 HD22 ASN 81 2HD2 ASN 81 -7.894 15.112 -8.747 678 H LYS 82 H LYS 82 -11.797 13.333 -7.347 679 HA LYS 82 HA LYS 82 -12.114 10.684 -8.008 680 HB2 LYS 82 2HB LYS 82 -12.448 13.130 -9.745 681 HB3 LYS 82 1HB LYS 82 -12.973 11.529 -10.242 682 HG2 LYS 82 2HG LYS 82 -13.972 13.001 -7.802 683 HG3 LYS 82 1HG LYS 82 -14.808 12.910 -9.352 684 HD2 LYS 82 2HD LYS 82 -14.577 10.313 -8.983 685 HD3 LYS 82 1HD LYS 82 -14.372 10.777 -7.289 686 HE2 LYS 82 2HE LYS 82 -16.516 11.861 -7.261 687 HE3 LYS 82 1HE LYS 82 -16.704 11.640 -9.002 688 HZ1 LYS 82 3HZ LYS 82 -16.752 9.242 -8.648 689 HZ2 LYS 82 1HZ LYS 82 -17.989 10.006 -7.786 690 HZ3 LYS 82 2HZ LYS 82 -16.606 9.458 -6.980 691 H LYS 83 H LYS 83 -9.829 12.944 -9.508 692 HA LYS 83 HA LYS 83 -8.946 11.242 -11.581 693 HB2 LYS 83 2HB LYS 83 -7.573 13.591 -10.254 694 HB3 LYS 83 1HB LYS 83 -7.022 12.827 -11.741 695 HG2 LYS 83 2HG LYS 83 -9.729 14.113 -11.393 696 HG3 LYS 83 1HG LYS 83 -8.322 14.924 -12.082 697 HD2 LYS 83 2HD LYS 83 -9.571 12.397 -13.176 698 HD3 LYS 83 1HD LYS 83 -9.866 14.022 -13.797 699 HE2 LYS 83 2HE LYS 83 -7.163 12.670 -13.693 700 HE3 LYS 83 1HE LYS 83 -8.189 12.770 -15.123 701 HZ1 LYS 83 3HZ LYS 83 -8.001 15.145 -15.101 702 HZ2 LYS 83 1HZ LYS 83 -6.446 14.484 -15.061 703 HZ3 LYS 83 2HZ LYS 83 -7.127 15.126 -13.653 704 H ASP 84 H ASP 84 -8.152 11.262 -8.215 705 HA ASP 84 HA ASP 84 -5.654 9.789 -8.655 706 HB2 ASP 84 2HB ASP 84 -6.854 10.844 -6.074 707 HB3 ASP 84 1HB ASP 84 -5.267 10.093 -6.252 708 H ALA 85 H ALA 85 -8.835 8.941 -8.433 709 HA ALA 85 HA ALA 85 -8.589 6.734 -6.573 710 HB1 ALA 85 3HB ALA 85 -10.894 6.211 -7.215 711 HB2 ALA 85 1HB ALA 85 -10.811 7.416 -8.504 712 HB3 ALA 85 2HB ALA 85 -10.710 7.919 -6.817 713 H GLY 86 H GLY 86 -8.513 4.533 -7.055 714 HA2 GLY 86 2HA GLY 86 -8.766 3.386 -9.595 715 HA3 GLY 86 1HA GLY 86 -7.072 3.787 -9.371 716 H TRP 87 H TRP 87 -7.216 1.311 -9.763 717 HA TRP 87 HA TRP 87 -7.430 -0.134 -7.231 718 HB2 TRP 87 2HB TRP 87 -7.004 -0.958 -10.086 719 HB3 TRP 87 1HB TRP 87 -6.479 -2.039 -8.802 720 HD1 TRP 87 HD1 TRP 87 -9.701 -0.432 -10.196 721 HE1 TRP 87 HE1 TRP 87 -11.699 -1.881 -9.461 722 HE3 TRP 87 HE3 TRP 87 -7.243 -3.721 -7.149 723 HZ2 TRP 87 HZ2 TRP 87 -12.169 -4.122 -7.818 724 HZ3 TRP 87 HZ3 TRP 87 -8.541 -5.493 -6.035 725 HH2 TRP 87 HH2 TRP 87 -10.956 -5.687 -6.364 726 H TYR 88 H TYR 88 -5.778 -0.337 -5.887 727 HA TYR 88 HA TYR 88 -3.076 0.383 -6.756 728 HB2 TYR 88 2HB TYR 88 -4.325 0.035 -4.028 729 HB3 TYR 88 1HB TYR 88 -2.591 0.245 -4.253 730 HD1 TYR 88 HD1 TYR 88 -5.883 1.880 -4.833 731 HD2 TYR 88 HD2 TYR 88 -1.660 2.388 -4.560 732 HE1 TYR 88 HE1 TYR 88 -6.177 4.321 -4.880 733 HE2 TYR 88 HE2 TYR 88 -1.949 4.828 -4.609 734 HH TYR 88 HH TYR 88 -4.953 6.341 -4.192 735 H THR 89 H THR 89 -1.261 -0.946 -6.292 736 HA THR 89 HA THR 89 -1.803 -3.764 -5.636 737 HB THR 89 HB THR 89 -0.158 -2.892 -8.031 738 HG1 THR 89 HG1 THR 89 -2.598 -2.817 -8.117 739 HG21 THR 89 3HG2 THR 89 0.702 -4.943 -7.018 740 HG22 THR 89 1HG2 THR 89 -0.075 -5.297 -8.561 741 HG23 THR 89 2HG2 THR 89 -0.913 -5.653 -7.050 742 H VAL 90 H VAL 90 -0.484 -4.329 -4.021 743 HA VAL 90 HA VAL 90 2.091 -2.932 -3.722 744 HB VAL 90 HB VAL 90 0.629 -2.657 -1.798 745 HG11 VAL 90 1HG1 VAL 90 0.638 -5.670 -1.581 746 HG12 VAL 90 2HG1 VAL 90 -0.739 -4.655 -2.009 747 HG13 VAL 90 3HG1 VAL 90 -0.042 -4.556 -0.393 748 HG21 VAL 90 3HG2 VAL 90 2.947 -4.505 -1.187 749 HG22 VAL 90 1HG2 VAL 90 2.145 -3.441 -0.029 750 HG23 VAL 90 2HG2 VAL 90 3.036 -2.755 -1.388 751 H SER 91 H SER 91 3.960 -4.001 -3.865 752 HA SER 91 HA SER 91 3.923 -6.960 -3.846 753 HB2 SER 91 2HB SER 91 5.573 -5.133 -5.618 754 HB3 SER 91 1HB SER 91 5.816 -6.874 -5.487 755 HG SER 91 HG SER 91 4.252 -5.708 -7.152 756 H ALA 92 H ALA 92 5.382 -7.949 -2.566 757 HA ALA 92 HA ALA 92 7.606 -6.352 -1.445 758 HB1 ALA 92 3HB ALA 92 5.906 -6.812 0.262 759 HB2 ALA 92 1HB ALA 92 7.413 -7.655 0.620 760 HB3 ALA 92 2HB ALA 92 6.045 -8.540 -0.057 761 H VAL 93 H VAL 93 9.518 -7.073 -2.203 762 HA VAL 93 HA VAL 93 9.715 -9.919 -2.975 763 HB VAL 93 HB VAL 93 9.763 -8.522 -4.938 764 HG11 VAL 93 1HG1 VAL 93 12.133 -7.108 -3.712 765 HG12 VAL 93 2HG1 VAL 93 10.518 -6.431 -3.922 766 HG13 VAL 93 3HG1 VAL 93 11.490 -6.845 -5.334 767 HG21 VAL 93 3HG2 VAL 93 11.895 -9.235 -5.923 768 HG22 VAL 93 1HG2 VAL 93 11.168 -10.521 -4.959 769 HG23 VAL 93 2HG2 VAL 93 12.523 -9.593 -4.314 770 H ASN 94 H ASN 94 10.896 -11.042 -1.634 771 HA ASN 94 HA ASN 94 13.492 -9.993 -0.684 772 HB2 ASN 94 2HB ASN 94 11.876 -10.706 1.088 773 HB3 ASN 94 1HB ASN 94 11.837 -12.314 0.383 774 HD21 ASN 94 1HD2 ASN 94 12.655 -11.323 3.047 775 HD22 ASN 94 2HD2 ASN 94 14.244 -11.948 3.286 776 H GLU 95 H GLU 95 15.350 -11.530 -0.877 777 HA GLU 95 HA GLU 95 15.462 -12.827 -3.378 778 HB2 GLU 95 2HB GLU 95 17.618 -13.699 -2.703 779 HB3 GLU 95 1HB GLU 95 17.470 -12.037 -2.150 780 HG2 GLU 95 2HG GLU 95 17.075 -12.747 0.103 781 HG3 GLU 95 1HG GLU 95 16.971 -14.435 -0.397 782 H ALA 96 H ALA 96 14.621 -14.002 -0.184 783 HA ALA 96 HA ALA 96 14.639 -16.786 -0.799 784 HB1 ALA 96 3HB ALA 96 14.852 -15.952 1.481 785 HB2 ALA 96 1HB ALA 96 13.483 -17.057 1.336 786 HB3 ALA 96 2HB ALA 96 13.209 -15.316 1.413 787 H GLY 97 H GLY 97 12.286 -14.266 -1.339 788 HA2 GLY 97 2HA GLY 97 10.644 -15.816 -2.995 789 HA3 GLY 97 1HA GLY 97 9.938 -15.853 -1.388 790 H VAL 98 H VAL 98 8.417 -14.818 -3.362 791 HA VAL 98 HA VAL 98 8.367 -11.936 -2.744 792 HB VAL 98 HB VAL 98 9.446 -12.129 -4.933 793 HG11 VAL 98 1HG1 VAL 98 8.541 -14.278 -5.647 794 HG12 VAL 98 2HG1 VAL 98 8.251 -13.046 -6.875 795 HG13 VAL 98 3HG1 VAL 98 6.936 -13.565 -5.819 796 HG21 VAL 98 3HG2 VAL 98 8.007 -10.196 -4.510 797 HG22 VAL 98 1HG2 VAL 98 6.618 -11.075 -5.151 798 HG23 VAL 98 2HG2 VAL 98 7.963 -10.653 -6.212 799 H THR 99 H THR 99 6.321 -11.000 -2.645 800 HA THR 99 HA THR 99 3.985 -12.630 -3.348 801 HB THR 99 HB THR 99 4.298 -13.193 -1.022 802 HG1 THR 99 HG1 THR 99 2.189 -13.067 -1.007 803 HG21 THR 99 3HG2 THR 99 4.256 -10.218 -0.471 804 HG22 THR 99 1HG2 THR 99 5.650 -11.288 -0.303 805 HG23 THR 99 2HG2 THR 99 4.253 -11.487 0.754 806 H THR 100 H THR 100 2.130 -11.464 -3.848 807 HA THR 100 HA THR 100 2.280 -8.524 -3.769 808 HB THR 100 HB THR 100 1.676 -10.118 -6.282 809 HG1 THR 100 HG1 THR 100 3.693 -8.196 -6.222 810 HG21 THR 100 3HG2 THR 100 0.285 -8.101 -6.138 811 HG22 THR 100 1HG2 THR 100 1.509 -7.939 -7.398 812 HG23 THR 100 2HG2 THR 100 1.725 -7.124 -5.849 813 H CYS 101 H CYS 101 0.325 -7.503 -3.509 814 HA CYS 101 HA CYS 101 -2.156 -9.071 -3.772 815 HB2 CYS 101 2HB CYS 101 -1.511 -9.152 -1.395 816 HB3 CYS 101 1HB CYS 101 -1.438 -7.394 -1.349 817 HG CYS 101 HG CYS 101 -4.291 -7.315 -2.121 818 H ASN 102 H ASN 102 -3.991 -7.893 -4.355 819 HA ASN 102 HA ASN 102 -3.474 -5.129 -5.233 820 HB2 ASN 102 2HB ASN 102 -5.700 -7.037 -6.000 821 HB3 ASN 102 1HB ASN 102 -5.479 -5.418 -6.656 822 HD21 ASN 102 1HD2 ASN 102 -3.725 -5.029 -8.052 823 HD22 ASN 102 2HD2 ASN 102 -2.899 -6.323 -8.842 824 H THR 103 H THR 103 -5.113 -3.488 -4.937 825 HA THR 103 HA THR 103 -7.048 -3.884 -2.763 826 HB THR 103 HB THR 103 -4.954 -1.683 -2.710 827 HG1 THR 103 HG1 THR 103 -4.835 -4.196 -1.821 828 HG21 THR 103 3HG2 THR 103 -7.086 -0.933 -1.778 829 HG22 THR 103 1HG2 THR 103 -5.897 -1.150 -0.493 830 HG23 THR 103 2HG2 THR 103 -7.154 -2.362 -0.745 831 H ARG 104 H ARG 104 -8.798 -2.389 -2.821 832 HA ARG 104 HA ARG 104 -8.881 -0.698 -5.249 833 HB2 ARG 104 2HB ARG 104 -10.513 -2.474 -5.358 834 HB3 ARG 104 1HB ARG 104 -11.124 -2.071 -3.758 835 HG2 ARG 104 2HG ARG 104 -11.947 0.067 -4.583 836 HG3 ARG 104 1HG ARG 104 -11.291 -0.282 -6.182 837 HD2 ARG 104 2HD ARG 104 -12.828 -2.104 -6.484 838 HD3 ARG 104 1HD ARG 104 -13.378 -1.982 -4.811 839 HE ARG 104 HE ARG 104 -13.899 0.475 -5.845 840 HH11 ARG 104 1HH1 ARG 104 -14.757 -2.726 -6.791 841 HH12 ARG 104 2HH1 ARG 104 -16.252 -2.221 -7.496 842 HH21 ARG 104 1HH2 ARG 104 -15.801 1.104 -6.731 843 HH22 ARG 104 2HH2 ARG 104 -16.849 -0.078 -7.451 844 H LEU 105 H LEU 105 -9.416 1.431 -5.127 845 HA LEU 105 HA LEU 105 -10.405 2.516 -2.567 846 HB2 LEU 105 2HB LEU 105 -8.024 3.021 -2.697 847 HB3 LEU 105 1HB LEU 105 -8.226 3.694 -4.304 848 HG LEU 105 HG LEU 105 -9.644 5.498 -3.341 849 HD11 LEU 105 1HD1 LEU 105 -8.838 4.309 -0.689 850 HD12 LEU 105 2HD1 LEU 105 -10.463 4.336 -1.373 851 HD13 LEU 105 3HD1 LEU 105 -9.673 5.846 -0.922 852 HD21 LEU 105 3HD2 LEU 105 -6.887 5.247 -2.134 853 HD22 LEU 105 1HD2 LEU 105 -7.819 6.740 -2.274 854 HD23 LEU 105 2HD2 LEU 105 -7.279 5.900 -3.726 855 H ASP 106 H ASP 106 -12.256 3.599 -2.834 856 HA ASP 106 HA ASP 106 -12.909 4.707 -5.493 857 HB2 ASP 106 2HB ASP 106 -14.713 3.840 -3.218 858 HB3 ASP 106 1HB ASP 106 -15.286 4.628 -4.682 859 H VAL 107 H VAL 107 -13.673 6.820 -5.683 860 HA VAL 107 HA VAL 107 -13.624 8.500 -3.261 861 HB VAL 107 HB VAL 107 -12.364 9.261 -5.913 862 HG11 VAL 107 1HG1 VAL 107 -12.571 10.807 -3.323 863 HG12 VAL 107 2HG1 VAL 107 -13.399 11.184 -4.835 864 HG13 VAL 107 3HG1 VAL 107 -11.642 11.304 -4.739 865 HG21 VAL 107 3HG2 VAL 107 -10.982 7.673 -4.670 866 HG22 VAL 107 1HG2 VAL 107 -11.081 8.692 -3.233 867 HG23 VAL 107 2HG2 VAL 107 -10.243 9.275 -4.671 868 H THR 108 H THR 108 -15.109 10.129 -3.173 869 HA THR 108 HA THR 108 -16.960 10.475 -5.449 870 HB THR 108 HB THR 108 -17.734 10.160 -2.539 871 HG1 THR 108 HG1 THR 108 -18.561 8.213 -3.159 872 HG21 THR 108 3HG2 THR 108 -20.065 10.324 -3.320 873 HG22 THR 108 1HG2 THR 108 -19.491 10.673 -4.950 874 HG23 THR 108 2HG2 THR 108 -19.174 11.814 -3.642 875 H ALA 109 H ALA 109 -17.973 12.563 -5.586 876 HA ALA 109 HA ALA 109 -16.205 14.666 -4.759 877 HB1 ALA 109 3HB ALA 109 -17.690 16.132 -6.025 878 HB2 ALA 109 1HB ALA 109 -18.878 14.834 -6.157 879 HB3 ALA 109 2HB ALA 109 -17.307 14.677 -6.946 880 H ARG 110 H ARG 110 -16.468 16.221 -3.194 881 HA ARG 110 HA ARG 110 -18.458 15.793 -1.157 882 HB2 ARG 110 2HB ARG 110 -16.261 17.841 -1.467 883 HB3 ARG 110 1HB ARG 110 -17.422 17.915 -0.147 884 HG2 ARG 110 2HG ARG 110 -16.715 15.549 0.429 885 HG3 ARG 110 1HG ARG 110 -15.385 15.774 -0.707 886 HD2 ARG 110 2HD ARG 110 -15.926 17.586 1.647 887 HD3 ARG 110 1HD ARG 110 -14.815 16.219 1.692 888 HE ARG 110 HE ARG 110 -13.964 17.719 -0.422 889 HH11 ARG 110 1HH1 ARG 110 -14.529 18.367 2.917 890 HH12 ARG 110 2HH1 ARG 110 -13.242 19.516 3.021 891 HH21 ARG 110 1HH2 ARG 110 -12.322 19.213 -0.276 892 HH22 ARG 110 2HH2 ARG 110 -12.021 19.998 1.232 893 HA PRO 111 HA PRO 111 -21.603 18.469 -2.774 894 HB2 PRO 111 2HB PRO 111 -22.919 19.120 -0.481 895 HB3 PRO 111 1HB PRO 111 -23.020 17.520 -1.226 896 HG2 PRO 111 2HG PRO 111 -21.286 18.434 1.050 897 HG3 PRO 111 1HG PRO 111 -22.274 16.965 0.920 898 HD2 PRO 111 2HD PRO 111 -19.620 16.923 0.477 899 HD3 PRO 111 1HD PRO 111 -20.734 15.899 -0.455 900 H ASN 112 H ASN 112 -19.243 19.586 -0.534 901 HA ASN 112 HA ASN 112 -19.413 22.261 -1.627 902 HB2 ASN 112 2HB ASN 112 -20.969 22.389 0.282 903 HB3 ASN 112 1HB ASN 112 -19.706 21.800 1.357 904 HD21 ASN 112 1HD2 ASN 112 -18.046 23.182 1.955 905 HD22 ASN 112 2HD2 ASN 112 -18.100 24.882 1.657 906 H GLN 113 H GLN 113 -17.416 23.101 -1.859 907 HA GLN 113 HA GLN 113 -15.227 22.039 -0.179 908 HB2 GLN 113 2HB GLN 113 -15.147 22.858 -3.097 909 HB3 GLN 113 1HB GLN 113 -13.714 22.505 -2.138 910 HG2 GLN 113 2HG GLN 113 -14.455 20.217 -1.815 911 HG3 GLN 113 1HG GLN 113 -15.954 20.556 -2.677 912 HE21 GLN 113 1HE2 GLN 113 -12.516 20.087 -2.992 913 HE22 GLN 113 2HE2 GLN 113 -12.511 19.847 -4.701 914 H THR 114 H THR 114 -13.323 23.611 -0.078 915 HA THR 114 HA THR 114 -14.160 25.989 1.133 916 HB THR 114 HB THR 114 -11.746 26.673 1.056 917 HG1 THR 114 HG1 THR 114 -10.590 25.779 -0.479 918 HG21 THR 114 3HG2 THR 114 -12.273 23.836 1.966 919 HG22 THR 114 1HG2 THR 114 -12.616 25.300 2.890 920 HG23 THR 114 2HG2 THR 114 -10.950 24.870 2.507 921 H LEU 115 H LEU 115 -15.308 27.441 0.005 922 HA LEU 115 HA LEU 115 -14.560 28.168 -2.717 923 HB2 LEU 115 2HB LEU 115 -16.715 29.449 -2.673 924 HB3 LEU 115 1HB LEU 115 -16.870 27.724 -2.424 925 HG LEU 115 HG LEU 115 -16.989 28.260 0.092 926 HD11 LEU 115 1HD1 LEU 115 -16.203 30.553 0.043 927 HD12 LEU 115 2HD1 LEU 115 -17.852 30.488 0.662 928 HD13 LEU 115 3HD1 LEU 115 -17.552 31.019 -0.993 929 HD21 LEU 115 3HD2 LEU 115 -18.908 27.506 -1.202 930 HD22 LEU 115 1HD2 LEU 115 -19.223 29.159 -1.729 931 HD23 LEU 115 2HD2 LEU 115 -19.389 28.729 -0.026 932 HA PRO 116 HA PRO 116 -12.733 32.144 -1.785 933 HB2 PRO 116 2HB PRO 116 -14.292 33.341 -4.000 934 HB3 PRO 116 1HB PRO 116 -12.543 33.184 -3.814 935 HG2 PRO 116 2HG PRO 116 -13.882 31.693 -5.583 936 HG3 PRO 116 1HG PRO 116 -12.509 31.031 -4.673 937 HD2 PRO 116 2HD PRO 116 -15.456 30.672 -4.185 938 HD3 PRO 116 1HD PRO 116 -14.155 29.461 -4.153 Start of MODEL 2 1 H1 MET 1 1H MET 1 26.315 -35.502 12.682 2 H2 MET 1 2H MET 1 25.216 -34.400 12.025 3 H3 MET 1 3H MET 1 25.947 -34.076 13.517 4 HA MET 1 HA MET 1 27.330 -34.254 10.903 5 HB2 MET 1 2HB MET 1 26.585 -31.885 12.626 6 HB3 MET 1 1HB MET 1 27.773 -31.793 11.333 7 HG2 MET 1 2HG MET 1 25.615 -30.985 10.587 8 HG3 MET 1 1HG MET 1 26.077 -32.442 9.709 9 HE1 MET 1 3HE MET 1 22.834 -32.249 12.993 10 HE2 MET 1 1HE MET 1 23.721 -30.853 12.380 11 HE3 MET 1 2HE MET 1 24.548 -32.059 13.365 12 H GLY 2 H GLY 2 27.618 -34.621 14.275 13 HA2 GLY 2 2HA GLY 2 29.463 -35.069 15.587 14 HA3 GLY 2 1HA GLY 2 30.446 -35.033 14.132 15 H HIS 3 H HIS 3 30.984 -32.822 13.276 16 HA HIS 3 HA HIS 3 31.925 -31.140 15.418 17 HB2 HIS 3 2HB HIS 3 31.983 -30.601 12.434 18 HB3 HIS 3 1HB HIS 3 32.934 -29.780 13.666 19 HD1 HIS 3 HD1 HIS 3 33.278 -32.284 11.197 20 HD2 HIS 3 HD2 HIS 3 34.665 -31.871 15.096 21 HE1 HIS 3 HE1 HIS 3 35.225 -33.857 11.388 22 HE2 HIS 3 HE2 HIS 3 35.963 -33.691 13.786 23 H HIS 4 H HIS 4 30.136 -30.325 16.471 24 HA HIS 4 HA HIS 4 27.797 -29.338 15.402 25 HB2 HIS 4 2HB HIS 4 27.661 -27.957 17.555 26 HB3 HIS 4 1HB HIS 4 27.832 -29.699 17.725 27 HD1 HIS 4 HD1 HIS 4 30.002 -26.571 17.856 28 HD2 HIS 4 HD2 HIS 4 29.918 -30.467 19.309 29 HE1 HIS 4 HE1 HIS 4 31.936 -26.744 19.444 30 HE2 HIS 4 HE2 HIS 4 31.961 -29.147 20.176 31 H HIS 5 H HIS 5 27.801 -27.968 13.705 32 HA HIS 5 HA HIS 5 28.650 -25.209 14.218 33 HB2 HIS 5 2HB HIS 5 29.357 -26.791 11.731 34 HB3 HIS 5 1HB HIS 5 29.493 -25.041 11.846 35 HD1 HIS 5 HD1 HIS 5 31.556 -27.864 11.994 36 HD2 HIS 5 HD2 HIS 5 31.241 -24.444 14.337 37 HE1 HIS 5 HE1 HIS 5 33.752 -27.665 13.192 38 HE2 HIS 5 HE2 HIS 5 33.517 -25.634 14.652 39 H HIS 6 H HIS 6 27.393 -23.625 13.173 40 HA HIS 6 HA HIS 6 24.781 -24.553 12.257 41 HB2 HIS 6 2HB HIS 6 25.819 -21.772 12.859 42 HB3 HIS 6 1HB HIS 6 24.174 -22.126 12.341 43 HD1 HIS 6 HD1 HIS 6 26.450 -22.339 15.295 44 HD2 HIS 6 HD2 HIS 6 22.526 -23.293 14.314 45 HE1 HIS 6 HE1 HIS 6 25.304 -22.805 17.477 46 HE2 HIS 6 HE2 HIS 6 22.910 -23.254 16.872 47 H HIS 7 H HIS 7 25.125 -25.332 10.172 48 HA HIS 7 HA HIS 7 25.855 -23.274 8.178 49 HB2 HIS 7 2HB HIS 7 27.573 -25.076 8.402 50 HB3 HIS 7 1HB HIS 7 26.358 -26.244 7.893 51 HD1 HIS 7 HD1 HIS 7 26.106 -26.579 5.417 52 HD2 HIS 7 HD2 HIS 7 28.187 -23.102 6.332 53 HE1 HIS 7 HE1 HIS 7 26.903 -25.674 3.221 54 HE2 HIS 7 HE2 HIS 7 27.981 -23.478 3.784 55 H HIS 8 H HIS 8 23.598 -25.754 9.111 56 HA HIS 8 HA HIS 8 22.180 -26.046 6.691 57 HB2 HIS 8 2HB HIS 8 21.898 -27.531 8.651 58 HB3 HIS 8 1HB HIS 8 21.120 -26.220 9.527 59 HD1 HIS 8 HD1 HIS 8 20.546 -28.571 6.635 60 HD2 HIS 8 HD2 HIS 8 18.420 -25.881 8.983 61 HE1 HIS 8 HE1 HIS 8 18.133 -28.942 6.067 62 HE2 HIS 8 HE2 HIS 8 16.871 -27.476 7.666 63 H SER 9 H SER 9 22.073 -23.609 9.190 64 HA SER 9 HA SER 9 20.946 -21.711 7.349 65 HB2 SER 9 2HB SER 9 18.857 -22.687 8.198 66 HB3 SER 9 1HB SER 9 19.373 -22.391 9.857 67 HG SER 9 HG SER 9 19.204 -20.275 7.993 68 H HIS 10 H HIS 10 22.921 -20.652 7.691 69 HA HIS 10 HA HIS 10 23.798 -19.886 10.326 70 HB2 HIS 10 2HB HIS 10 25.347 -20.286 8.400 71 HB3 HIS 10 1HB HIS 10 24.714 -18.838 7.629 72 HD1 HIS 10 HD1 HIS 10 27.200 -19.992 10.056 73 HD2 HIS 10 HD2 HIS 10 25.399 -16.393 9.035 74 HE1 HIS 10 HE1 HIS 10 28.625 -18.213 11.097 75 HE2 HIS 10 HE2 HIS 10 27.454 -16.053 10.568 76 H GLU 11 H GLU 11 22.296 -18.223 7.583 77 HA GLU 11 HA GLU 11 21.799 -15.837 9.235 78 HB2 GLU 11 2HB GLU 11 21.368 -16.295 6.272 79 HB3 GLU 11 1HB GLU 11 21.180 -14.764 7.118 80 HG2 GLU 11 2HG GLU 11 23.510 -14.608 7.539 81 HG3 GLU 11 1HG GLU 11 23.782 -16.272 7.017 82 H HIS 12 H HIS 12 19.717 -15.167 9.756 83 HA HIS 12 HA HIS 12 17.606 -17.145 9.512 84 HB2 HIS 12 2HB HIS 12 17.499 -14.345 10.679 85 HB3 HIS 12 1HB HIS 12 16.291 -15.608 10.893 86 HD1 HIS 12 HD1 HIS 12 16.552 -17.003 12.941 87 HD2 HIS 12 HD2 HIS 12 20.097 -15.102 11.893 88 HE1 HIS 12 HE1 HIS 12 18.171 -17.532 14.782 89 HE2 HIS 12 HE2 HIS 12 20.328 -16.434 14.097 90 H LYS 13 H LYS 13 16.612 -17.302 7.586 91 HA LYS 13 HA LYS 13 15.768 -14.806 6.247 92 HB2 LYS 13 2HB LYS 13 16.429 -17.445 4.914 93 HB3 LYS 13 1HB LYS 13 15.934 -15.966 4.099 94 HG2 LYS 13 2HG LYS 13 17.977 -14.854 5.017 95 HG3 LYS 13 1HG LYS 13 18.487 -16.420 5.642 96 HD2 LYS 13 2HD LYS 13 18.438 -17.306 3.312 97 HD3 LYS 13 1HD LYS 13 18.065 -15.676 2.742 98 HE2 LYS 13 2HE LYS 13 20.556 -16.527 4.229 99 HE3 LYS 13 1HE LYS 13 20.445 -16.143 2.513 100 HZ1 LYS 13 3HZ LYS 13 19.898 -14.223 4.714 101 HZ2 LYS 13 1HZ LYS 13 19.906 -13.879 3.058 102 HZ3 LYS 13 2HZ LYS 13 21.345 -14.304 3.838 103 H ARG 14 H ARG 14 13.640 -14.552 5.798 104 HA ARG 14 HA ARG 14 11.886 -16.907 5.765 105 HB2 ARG 14 2HB ARG 14 11.829 -15.720 8.030 106 HB3 ARG 14 1HB ARG 14 11.089 -14.363 7.194 107 HG2 ARG 14 2HG ARG 14 9.395 -15.733 8.254 108 HG3 ARG 14 1HG ARG 14 9.229 -15.815 6.498 109 HD2 ARG 14 2HD ARG 14 10.379 -17.964 6.473 110 HD3 ARG 14 1HD ARG 14 10.627 -17.873 8.216 111 HE ARG 14 HE ARG 14 7.872 -17.708 7.664 112 HH11 ARG 14 1HH1 ARG 14 10.476 -19.960 7.525 113 HH12 ARG 14 2HH1 ARG 14 9.450 -21.330 7.775 114 HH21 ARG 14 1HH2 ARG 14 6.569 -19.470 8.024 115 HH22 ARG 14 2HH2 ARG 14 7.265 -21.053 8.086 116 H ALA 15 H ALA 15 10.646 -16.920 3.981 117 HA ALA 15 HA ALA 15 10.626 -14.790 2.113 118 HB1 ALA 15 3HB ALA 15 8.764 -17.166 2.245 119 HB2 ALA 15 1HB ALA 15 10.350 -17.151 1.471 120 HB3 ALA 15 2HB ALA 15 9.052 -16.135 0.842 121 HA PRO 16 HA PRO 16 7.472 -12.141 3.770 122 HB2 PRO 16 2HB PRO 16 6.605 -10.975 1.437 123 HB3 PRO 16 1HB PRO 16 8.098 -10.528 2.271 124 HG2 PRO 16 2HG PRO 16 7.719 -12.382 -0.061 125 HG3 PRO 16 1HG PRO 16 8.942 -11.116 0.173 126 HD2 PRO 16 2HD PRO 16 9.537 -13.690 0.594 127 HD3 PRO 16 1HD PRO 16 10.190 -12.415 1.649 128 H MET 17 H MET 17 5.442 -12.505 4.387 129 HA MET 17 HA MET 17 3.540 -13.815 2.555 130 HB2 MET 17 2HB MET 17 4.276 -15.602 3.938 131 HB3 MET 17 1HB MET 17 4.230 -14.606 5.384 132 HG2 MET 17 2HG MET 17 2.411 -16.241 5.310 133 HG3 MET 17 1HG MET 17 1.817 -14.581 5.345 134 HE1 MET 17 3HE MET 17 -0.559 -15.288 4.622 135 HE2 MET 17 1HE MET 17 -0.091 -16.987 4.582 136 HE3 MET 17 2HE MET 17 -0.931 -16.271 3.205 137 H PHE 18 H PHE 18 1.623 -12.791 2.439 138 HA PHE 18 HA PHE 18 0.991 -10.567 4.156 139 HB2 PHE 18 2HB PHE 18 -0.444 -11.906 1.870 140 HB3 PHE 18 1HB PHE 18 -1.244 -10.682 2.846 141 HD1 PHE 18 HD1 PHE 18 -0.523 -8.356 2.770 142 HD2 PHE 18 HD2 PHE 18 1.308 -11.316 0.310 143 HE1 PHE 18 HE1 PHE 18 0.433 -6.586 1.354 144 HE2 PHE 18 HE2 PHE 18 2.272 -9.548 -1.101 145 HZ PHE 18 HZ PHE 18 1.833 -7.182 -0.585 146 H ILE 19 H ILE 19 0.459 -11.053 6.209 147 HA ILE 19 HA ILE 19 -1.135 -13.335 6.934 148 HB ILE 19 HB ILE 19 -0.504 -10.939 8.672 149 HG12 ILE 19 2HG1 ILE 19 1.158 -13.446 8.251 150 HG13 ILE 19 1HG1 ILE 19 1.570 -11.840 7.654 151 HG21 ILE 19 1HG2 ILE 19 -1.115 -13.824 9.340 152 HG22 ILE 19 2HG2 ILE 19 -2.203 -12.453 9.560 153 HG23 ILE 19 3HG2 ILE 19 -0.720 -12.562 10.510 154 HD11 ILE 19 3HD1 ILE 19 1.329 -12.640 10.549 155 HD12 ILE 19 1HD1 ILE 19 1.756 -11.037 9.951 156 HD13 ILE 19 2HD1 ILE 19 2.830 -12.403 9.653 157 H TYR 20 H TYR 20 -1.726 -9.929 6.351 158 HA TYR 20 HA TYR 20 -4.630 -10.431 6.477 159 HB2 TYR 20 2HB TYR 20 -3.236 -7.928 7.469 160 HB3 TYR 20 1HB TYR 20 -4.976 -8.132 7.340 161 HD1 TYR 20 HD1 TYR 20 -6.132 -9.780 8.859 162 HD2 TYR 20 HD2 TYR 20 -2.040 -8.721 9.349 163 HE1 TYR 20 HE1 TYR 20 -6.194 -10.610 11.176 164 HE2 TYR 20 HE2 TYR 20 -2.091 -9.553 11.655 165 HH TYR 20 HH TYR 20 -3.800 -9.900 13.431 166 H LYS 21 H LYS 21 -5.821 -9.474 4.837 167 HA LYS 21 HA LYS 21 -4.315 -8.309 2.636 168 HB2 LYS 21 2HB LYS 21 -6.410 -8.502 1.364 169 HB3 LYS 21 1HB LYS 21 -5.962 -10.026 2.115 170 HG2 LYS 21 2HG LYS 21 -7.601 -9.540 3.935 171 HG3 LYS 21 1HG LYS 21 -8.108 -8.113 3.030 172 HD2 LYS 21 2HD LYS 21 -9.673 -9.770 2.452 173 HD3 LYS 21 1HD LYS 21 -8.565 -9.714 1.082 174 HE2 LYS 21 2HE LYS 21 -8.474 -11.730 3.334 175 HE3 LYS 21 1HE LYS 21 -9.147 -12.021 1.734 176 HZ1 LYS 21 3HZ LYS 21 -6.303 -11.441 2.378 177 HZ2 LYS 21 1HZ LYS 21 -6.920 -11.602 0.808 178 HZ3 LYS 21 2HZ LYS 21 -6.944 -12.918 1.868 179 HA PRO 22 HA PRO 22 -5.129 -4.062 3.578 180 HB2 PRO 22 2HB PRO 22 -5.343 -3.044 1.023 181 HB3 PRO 22 1HB PRO 22 -3.812 -3.411 1.825 182 HG2 PRO 22 2HG PRO 22 -5.368 -5.063 -0.138 183 HG3 PRO 22 1HG PRO 22 -3.620 -4.762 -0.065 184 HD2 PRO 22 2HD PRO 22 -4.665 -7.058 0.834 185 HD3 PRO 22 1HD PRO 22 -3.303 -6.283 1.671 186 H GLN 23 H GLN 23 -6.855 -2.728 3.927 187 HA GLN 23 HA GLN 23 -9.457 -3.813 3.175 188 HB2 GLN 23 2HB GLN 23 -10.373 -2.375 4.957 189 HB3 GLN 23 1HB GLN 23 -9.123 -3.457 5.543 190 HG2 GLN 23 2HG GLN 23 -8.630 -0.556 4.880 191 HG3 GLN 23 1HG GLN 23 -9.086 -1.129 6.482 192 HE21 GLN 23 1HE2 GLN 23 -7.604 -2.415 7.642 193 HE22 GLN 23 2HE2 GLN 23 -5.920 -2.409 7.260 194 H SER 24 H SER 24 -10.509 -3.030 1.505 195 HA SER 24 HA SER 24 -9.834 -0.564 0.222 196 HB2 SER 24 2HB SER 24 -11.755 -1.112 -1.280 197 HB3 SER 24 1HB SER 24 -10.607 -2.438 -1.116 198 HG SER 24 HG SER 24 -13.025 -2.188 0.364 199 H LYS 25 H LYS 25 -10.582 1.414 0.677 200 HA LYS 25 HA LYS 25 -13.111 1.678 2.187 201 HB2 LYS 25 2HB LYS 25 -10.597 3.350 2.405 202 HB3 LYS 25 1HB LYS 25 -12.123 3.747 3.181 203 HG2 LYS 25 2HG LYS 25 -12.005 1.672 4.479 204 HG3 LYS 25 1HG LYS 25 -10.467 1.279 3.707 205 HD2 LYS 25 2HD LYS 25 -10.150 2.263 5.940 206 HD3 LYS 25 1HD LYS 25 -9.447 3.271 4.674 207 HE2 LYS 25 2HE LYS 25 -10.614 4.640 6.318 208 HE3 LYS 25 1HE LYS 25 -11.425 4.732 4.756 209 HZ1 LYS 25 3HZ LYS 25 -13.050 4.486 6.475 210 HZ2 LYS 25 1HZ LYS 25 -12.269 3.124 7.102 211 HZ3 LYS 25 2HZ LYS 25 -13.012 3.053 5.585 212 H LYS 26 H LYS 26 -14.411 3.503 1.760 213 HA LYS 26 HA LYS 26 -13.804 4.962 -0.732 214 HB2 LYS 26 2HB LYS 26 -16.256 5.276 -0.979 215 HB3 LYS 26 1HB LYS 26 -15.766 3.590 -1.038 216 HG2 LYS 26 2HG LYS 26 -16.496 3.285 1.276 217 HG3 LYS 26 1HG LYS 26 -16.967 4.982 1.356 218 HD2 LYS 26 2HD LYS 26 -18.142 2.911 -0.508 219 HD3 LYS 26 1HD LYS 26 -18.898 3.515 0.966 220 HE2 LYS 26 2HE LYS 26 -18.216 5.153 -1.479 221 HE3 LYS 26 1HE LYS 26 -19.824 4.602 -1.017 222 HZ1 LYS 26 3HZ LYS 26 -19.607 6.839 -0.325 223 HZ2 LYS 26 1HZ LYS 26 -18.114 6.556 0.419 224 HZ3 LYS 26 2HZ LYS 26 -19.527 5.897 1.072 225 H VAL 27 H VAL 27 -13.342 7.053 -0.485 226 HA VAL 27 HA VAL 27 -14.262 8.441 1.967 227 HB VAL 27 HB VAL 27 -12.206 9.775 1.901 228 HG11 VAL 27 1HG1 VAL 27 -10.612 8.011 2.539 229 HG12 VAL 27 2HG1 VAL 27 -11.680 6.796 1.838 230 HG13 VAL 27 3HG1 VAL 27 -12.210 7.735 3.234 231 HG21 VAL 27 3HG2 VAL 27 -11.419 8.023 -0.443 232 HG22 VAL 27 1HG2 VAL 27 -10.368 9.185 0.368 233 HG23 VAL 27 2HG2 VAL 27 -11.790 9.747 -0.510 234 H LEU 28 H LEU 28 -14.002 10.951 1.656 235 HA LEU 28 HA LEU 28 -15.286 11.731 -0.868 236 HB2 LEU 28 2HB LEU 28 -14.928 13.182 1.758 237 HB3 LEU 28 1HB LEU 28 -15.585 13.951 0.324 238 HG LEU 28 HG LEU 28 -16.812 11.568 1.732 239 HD11 LEU 28 1HD1 LEU 28 -16.971 13.549 3.119 240 HD12 LEU 28 2HD1 LEU 28 -18.550 13.150 2.445 241 HD13 LEU 28 3HD1 LEU 28 -17.612 14.480 1.765 242 HD21 LEU 28 3HD2 LEU 28 -17.295 11.624 -0.665 243 HD22 LEU 28 1HD2 LEU 28 -17.873 13.284 -0.519 244 HD23 LEU 28 2HD2 LEU 28 -18.734 11.972 0.287 245 H GLU 29 H GLU 29 -14.578 13.945 -1.741 246 HA GLU 29 HA GLU 29 -11.811 13.755 -2.422 247 HB2 GLU 29 2HB GLU 29 -13.786 15.971 -3.014 248 HB3 GLU 29 1HB GLU 29 -12.203 15.791 -3.761 249 HG2 GLU 29 2HG GLU 29 -12.959 13.579 -4.646 250 HG3 GLU 29 1HG GLU 29 -14.570 13.947 -4.035 251 H GLY 30 H GLY 30 -10.087 14.654 -1.489 252 HA2 GLY 30 2HA GLY 30 -8.883 16.446 -0.488 253 HA3 GLY 30 1HA GLY 30 -10.391 17.091 0.135 254 H ASP 31 H ASP 31 -10.683 13.952 0.816 255 HA ASP 31 HA ASP 31 -9.792 14.297 3.566 256 HB2 ASP 31 2HB ASP 31 -11.398 12.138 2.184 257 HB3 ASP 31 1HB ASP 31 -10.950 12.074 3.888 258 H SER 32 H SER 32 -9.252 11.708 4.352 259 HA SER 32 HA SER 32 -6.920 10.875 2.760 260 HB2 SER 32 2HB SER 32 -5.573 10.598 4.807 261 HB3 SER 32 1HB SER 32 -6.062 12.275 4.588 262 HG SER 32 HG SER 32 -7.669 10.571 6.154 263 H VAL 33 H VAL 33 -6.414 8.697 2.823 264 HA VAL 33 HA VAL 33 -8.277 6.951 4.315 265 HB VAL 33 HB VAL 33 -8.801 6.902 1.916 266 HG11 VAL 33 1HG1 VAL 33 -5.956 5.955 1.552 267 HG12 VAL 33 2HG1 VAL 33 -6.625 7.493 1.006 268 HG13 VAL 33 3HG1 VAL 33 -7.194 5.982 0.296 269 HG21 VAL 33 3HG2 VAL 33 -8.688 4.476 1.572 270 HG22 VAL 33 1HG2 VAL 33 -9.151 4.868 3.228 271 HG23 VAL 33 2HG2 VAL 33 -7.505 4.343 2.872 272 H LYS 34 H LYS 34 -7.435 5.030 5.190 273 HA LYS 34 HA LYS 34 -4.489 4.874 5.286 274 HB2 LYS 34 2HB LYS 34 -4.774 3.839 7.526 275 HB3 LYS 34 1HB LYS 34 -5.383 5.486 7.442 276 HG2 LYS 34 2HG LYS 34 -7.681 4.606 7.210 277 HG3 LYS 34 1HG LYS 34 -7.045 2.967 7.360 278 HD2 LYS 34 2HD LYS 34 -7.954 3.759 9.487 279 HD3 LYS 34 1HD LYS 34 -6.214 3.484 9.606 280 HE2 LYS 34 2HE LYS 34 -5.792 5.861 9.402 281 HE3 LYS 34 1HE LYS 34 -7.505 6.173 9.131 282 HZ1 LYS 34 3HZ LYS 34 -6.367 5.032 11.624 283 HZ2 LYS 34 1HZ LYS 34 -7.986 5.441 11.356 284 HZ3 LYS 34 2HZ LYS 34 -6.805 6.651 11.410 285 H LEU 35 H LEU 35 -3.666 3.197 4.243 286 HA LEU 35 HA LEU 35 -5.217 0.681 4.068 287 HB2 LEU 35 2HB LEU 35 -3.022 1.669 2.230 288 HB3 LEU 35 1HB LEU 35 -3.960 0.200 2.028 289 HG LEU 35 HG LEU 35 -5.083 3.006 1.894 290 HD11 LEU 35 1HD1 LEU 35 -5.317 2.573 -0.515 291 HD12 LEU 35 2HD1 LEU 35 -4.465 1.041 -0.315 292 HD13 LEU 35 3HD1 LEU 35 -3.631 2.563 -0.003 293 HD21 LEU 35 3HD2 LEU 35 -6.741 1.418 2.678 294 HD22 LEU 35 1HD2 LEU 35 -6.364 0.324 1.346 295 HD23 LEU 35 2HD2 LEU 35 -7.104 1.893 1.020 296 H GLU 36 H GLU 36 -4.441 -0.858 5.438 297 HA GLU 36 HA GLU 36 -1.525 -1.054 5.791 298 HB2 GLU 36 2HB GLU 36 -1.823 -1.455 8.221 299 HB3 GLU 36 1HB GLU 36 -2.279 0.168 7.726 300 HG2 GLU 36 2HG GLU 36 -4.623 -0.400 7.842 301 HG3 GLU 36 1HG GLU 36 -4.228 -2.082 8.195 302 H CYS 37 H CYS 37 -0.676 -3.054 6.016 303 HA CYS 37 HA CYS 37 -2.363 -5.372 6.570 304 HB2 CYS 37 2HB CYS 37 -1.578 -6.613 4.599 305 HB3 CYS 37 1HB CYS 37 -2.461 -5.169 4.115 306 HG CYS 37 HG CYS 37 -0.490 -5.231 2.289 307 H GLN 38 H GLN 38 -0.978 -7.390 6.810 308 HA GLN 38 HA GLN 38 1.608 -6.648 8.028 309 HB2 GLN 38 2HB GLN 38 -0.314 -8.895 8.647 310 HB3 GLN 38 1HB GLN 38 1.317 -8.837 9.297 311 HG2 GLN 38 2HG GLN 38 -0.759 -6.697 9.723 312 HG3 GLN 38 1HG GLN 38 -0.446 -8.018 10.845 313 HE21 GLN 38 1HE2 GLN 38 2.455 -7.928 10.354 314 HE22 GLN 38 2HE2 GLN 38 3.023 -6.537 11.193 315 H ILE 39 H ILE 39 3.328 -7.177 6.831 316 HA ILE 39 HA ILE 39 3.318 -9.748 5.361 317 HB ILE 39 HB ILE 39 5.048 -7.311 4.852 318 HG12 ILE 39 2HG1 ILE 39 2.735 -8.430 3.236 319 HG13 ILE 39 1HG1 ILE 39 2.704 -6.938 4.172 320 HG21 ILE 39 1HG2 ILE 39 4.845 -9.928 3.346 321 HG22 ILE 39 2HG2 ILE 39 6.215 -9.377 4.313 322 HG23 ILE 39 3HG2 ILE 39 5.784 -8.524 2.832 323 HD11 ILE 39 3HD1 ILE 39 4.431 -5.997 2.706 324 HD12 ILE 39 1HD1 ILE 39 2.981 -6.467 1.818 325 HD13 ILE 39 2HD1 ILE 39 4.418 -7.483 1.758 326 H SER 40 H SER 40 4.443 -11.282 6.459 327 HA SER 40 HA SER 40 6.560 -10.454 8.316 328 HB2 SER 40 2HB SER 40 4.879 -12.080 9.114 329 HB3 SER 40 1HB SER 40 5.365 -13.203 7.844 330 HG SER 40 HG SER 40 6.835 -13.866 9.176 331 H ALA 41 H ALA 41 8.410 -10.038 7.232 332 HA ALA 41 HA ALA 41 9.585 -12.230 5.650 333 HB1 ALA 41 3HB ALA 41 10.491 -10.627 4.054 334 HB2 ALA 41 1HB ALA 41 9.712 -9.308 4.921 335 HB3 ALA 41 2HB ALA 41 8.734 -10.527 4.108 336 H ILE 42 H ILE 42 11.775 -12.567 5.925 337 HA ILE 42 HA ILE 42 13.303 -10.626 7.539 338 HB ILE 42 HB ILE 42 13.384 -13.628 7.981 339 HG12 ILE 42 2HG1 ILE 42 12.342 -11.414 9.780 340 HG13 ILE 42 1HG1 ILE 42 11.351 -12.595 8.927 341 HG21 ILE 42 1HG2 ILE 42 14.912 -13.095 9.840 342 HG22 ILE 42 2HG2 ILE 42 14.884 -11.397 9.365 343 HG23 ILE 42 3HG2 ILE 42 15.573 -12.605 8.279 344 HD11 ILE 42 3HD1 ILE 42 13.335 -13.187 11.115 345 HD12 ILE 42 1HD1 ILE 42 12.375 -14.387 10.248 346 HD13 ILE 42 2HD1 ILE 42 11.577 -13.184 11.261 347 HA PRO 43 HA PRO 43 14.791 -9.400 7.298 348 HB2 PRO 43 2HB PRO 43 16.109 -7.718 5.666 349 HB3 PRO 43 1HB PRO 43 16.971 -8.894 6.667 350 HG2 PRO 43 2HG PRO 43 16.240 -9.063 3.760 351 HG3 PRO 43 1HG PRO 43 17.784 -9.442 4.545 352 HD2 PRO 43 2HD PRO 43 15.951 -11.348 3.874 353 HD3 PRO 43 1HD PRO 43 17.066 -11.514 5.245 354 HA PRO 44 HA PRO 44 11.267 -7.198 5.617 355 HB2 PRO 44 2HB PRO 44 13.014 -4.758 5.676 356 HB3 PRO 44 1HB PRO 44 11.355 -4.968 6.256 357 HG2 PRO 44 2HG PRO 44 13.371 -4.960 7.983 358 HG3 PRO 44 1HG PRO 44 12.031 -6.108 8.176 359 HD2 PRO 44 2HD PRO 44 14.812 -6.585 7.194 360 HD3 PRO 44 1HD PRO 44 13.748 -7.653 8.133 361 HA PRO 45 HA PRO 45 12.345 -7.054 1.296 362 HB2 PRO 45 2HB PRO 45 9.907 -7.324 0.293 363 HB3 PRO 45 1HB PRO 45 10.583 -8.588 1.327 364 HG2 PRO 45 2HG PRO 45 8.577 -6.468 1.994 365 HG3 PRO 45 1HG PRO 45 8.627 -8.166 2.506 366 HD2 PRO 45 2HD PRO 45 9.553 -5.959 3.993 367 HD3 PRO 45 1HD PRO 45 9.907 -7.665 4.320 368 H LYS 46 H LYS 46 11.848 -5.900 -0.720 369 HA LYS 46 HA LYS 46 11.452 -3.050 -0.346 370 HB2 LYS 46 2HB LYS 46 13.189 -3.901 -1.875 371 HB3 LYS 46 1HB LYS 46 11.955 -4.688 -2.848 372 HG2 LYS 46 2HG LYS 46 12.595 -2.699 -3.976 373 HG3 LYS 46 1HG LYS 46 10.982 -2.439 -3.315 374 HD2 LYS 46 2HD LYS 46 11.950 -1.180 -1.442 375 HD3 LYS 46 1HD LYS 46 13.569 -1.462 -2.086 376 HE2 LYS 46 2HE LYS 46 12.882 -0.271 -4.165 377 HE3 LYS 46 1HE LYS 46 11.347 0.117 -3.386 378 HZ1 LYS 46 3HZ LYS 46 14.047 0.963 -2.486 379 HZ2 LYS 46 1HZ LYS 46 12.612 1.276 -1.650 380 HZ3 LYS 46 2HZ LYS 46 12.861 1.949 -3.176 381 H LEU 47 H LEU 47 9.589 -1.946 -0.731 382 HA LEU 47 HA LEU 47 7.242 -3.496 -1.590 383 HB2 LEU 47 2HB LEU 47 7.392 -0.788 -0.256 384 HB3 LEU 47 1HB LEU 47 5.927 -1.707 -0.561 385 HG LEU 47 HG LEU 47 8.166 -2.593 1.275 386 HD11 LEU 47 1HD1 LEU 47 5.459 -1.443 1.951 387 HD12 LEU 47 2HD1 LEU 47 7.012 -0.633 2.159 388 HD13 LEU 47 3HD1 LEU 47 6.639 -2.075 3.101 389 HD21 LEU 47 3HD2 LEU 47 6.590 -4.303 2.015 390 HD22 LEU 47 1HD2 LEU 47 6.931 -4.463 0.292 391 HD23 LEU 47 2HD2 LEU 47 5.409 -3.748 0.828 392 H PHE 48 H PHE 48 6.457 -3.259 -3.578 393 HA PHE 48 HA PHE 48 6.859 -0.703 -5.014 394 HB2 PHE 48 2HB PHE 48 6.431 -3.487 -6.134 395 HB3 PHE 48 1HB PHE 48 6.536 -2.021 -7.103 396 HD1 PHE 48 HD1 PHE 48 8.686 -0.723 -7.124 397 HD2 PHE 48 HD2 PHE 48 8.379 -4.613 -5.409 398 HE1 PHE 48 HE1 PHE 48 11.131 -0.970 -7.245 399 HE2 PHE 48 HE2 PHE 48 10.819 -4.859 -5.526 400 HZ PHE 48 HZ PHE 48 12.201 -3.039 -6.440 401 H TRP 49 H TRP 49 5.066 0.509 -5.131 402 HA TRP 49 HA TRP 49 2.431 -0.820 -5.138 403 HB2 TRP 49 2HB TRP 49 3.275 1.936 -4.224 404 HB3 TRP 49 1HB TRP 49 1.587 1.510 -4.486 405 HD1 TRP 49 HD1 TRP 49 4.568 0.544 -2.221 406 HE1 TRP 49 HE1 TRP 49 3.622 -0.417 -0.031 407 HE3 TRP 49 HE3 TRP 49 -0.394 0.485 -3.435 408 HZ2 TRP 49 HZ2 TRP 49 1.111 -1.103 1.048 409 HZ3 TRP 49 HZ3 TRP 49 -2.009 -0.337 -1.768 410 HH2 TRP 49 HH2 TRP 49 -1.270 -1.116 0.430 411 H LYS 50 H LYS 50 1.325 -0.828 -6.977 412 HA LYS 50 HA LYS 50 1.684 1.391 -8.892 413 HB2 LYS 50 2HB LYS 50 2.766 -0.513 -9.871 414 HB3 LYS 50 1HB LYS 50 1.414 -1.567 -9.472 415 HG2 LYS 50 2HG LYS 50 0.009 -0.479 -11.094 416 HG3 LYS 50 1HG LYS 50 1.245 0.739 -11.413 417 HD2 LYS 50 2HD LYS 50 1.565 -2.222 -11.933 418 HD3 LYS 50 1HD LYS 50 1.114 -1.032 -13.155 419 HE2 LYS 50 2HE LYS 50 3.246 0.164 -12.702 420 HE3 LYS 50 1HE LYS 50 3.698 -1.133 -11.595 421 HZ1 LYS 50 3HZ LYS 50 4.686 -1.464 -13.763 422 HZ2 LYS 50 1HZ LYS 50 3.165 -1.427 -14.497 423 HZ3 LYS 50 2HZ LYS 50 3.562 -2.690 -13.451 424 H ARG 51 H ARG 51 -0.133 2.445 -9.375 425 HA ARG 51 HA ARG 51 -2.756 1.201 -8.834 426 HB2 ARG 51 2HB ARG 51 -2.302 3.328 -7.657 427 HB3 ARG 51 1HB ARG 51 -2.020 4.120 -9.203 428 HG2 ARG 51 2HG ARG 51 -4.423 3.367 -9.786 429 HG3 ARG 51 1HG ARG 51 -4.600 3.102 -8.052 430 HD2 ARG 51 2HD ARG 51 -5.408 5.302 -8.543 431 HD3 ARG 51 1HD ARG 51 -3.866 5.470 -7.696 432 HE ARG 51 HE ARG 51 -3.535 5.440 -10.526 433 HH11 ARG 51 1HH1 ARG 51 -4.435 7.481 -7.901 434 HH12 ARG 51 2HH1 ARG 51 -3.949 8.923 -8.729 435 HH21 ARG 51 1HH2 ARG 51 -2.953 7.283 -11.580 436 HH22 ARG 51 2HH2 ARG 51 -3.127 8.812 -10.786 437 H ASN 52 H ASN 52 -3.604 0.326 -10.674 438 HA ASN 52 HA ASN 52 -4.335 0.116 -12.837 439 HB2 ASN 52 2HB ASN 52 -5.671 2.048 -11.819 440 HB3 ASN 52 1HB ASN 52 -4.625 3.125 -12.732 441 HD21 ASN 52 1HD2 ASN 52 -7.475 2.751 -12.913 442 HD22 ASN 52 2HD2 ASN 52 -7.805 2.290 -14.538 443 H ASN 53 H ASN 53 -1.839 -0.253 -13.170 444 HA ASN 53 HA ASN 53 -0.199 -0.302 -14.744 445 HB2 ASN 53 2HB ASN 53 -2.080 0.183 -16.350 446 HB3 ASN 53 1HB ASN 53 -1.672 1.890 -16.225 447 HD21 ASN 53 1HD2 ASN 53 -1.117 2.094 -18.360 448 HD22 ASN 53 2HD2 ASN 53 0.296 1.366 -19.038 449 H GLU 54 H GLU 54 -0.967 2.560 -13.037 450 HA GLU 54 HA GLU 54 1.567 3.881 -13.747 451 HB2 GLU 54 2HB GLU 54 -0.726 4.849 -12.022 452 HB3 GLU 54 1HB GLU 54 0.696 5.790 -12.446 453 HG2 GLU 54 2HG GLU 54 0.049 5.755 -14.790 454 HG3 GLU 54 1HG GLU 54 -1.353 4.757 -14.400 455 H MET 55 H MET 55 3.222 4.234 -12.242 456 HA MET 55 HA MET 55 3.026 2.719 -9.748 457 HB2 MET 55 2HB MET 55 5.018 2.404 -11.152 458 HB3 MET 55 1HB MET 55 5.415 4.110 -10.983 459 HG2 MET 55 2HG MET 55 5.983 3.873 -8.727 460 HG3 MET 55 1HG MET 55 5.140 2.330 -8.585 461 HE1 MET 55 3HE MET 55 6.065 0.719 -11.121 462 HE2 MET 55 1HE MET 55 6.022 0.053 -9.488 463 HE3 MET 55 2HE MET 55 7.471 -0.128 -10.478 464 H VAL 56 H VAL 56 3.222 3.600 -7.700 465 HA VAL 56 HA VAL 56 2.087 6.228 -7.467 466 HB VAL 56 HB VAL 56 3.024 4.393 -5.250 467 HG11 VAL 56 1HG1 VAL 56 1.009 6.647 -5.250 468 HG12 VAL 56 2HG1 VAL 56 2.605 6.674 -4.500 469 HG13 VAL 56 3HG1 VAL 56 1.361 5.583 -3.887 470 HG21 VAL 56 3HG2 VAL 56 0.717 3.559 -5.179 471 HG22 VAL 56 1HG2 VAL 56 1.474 3.221 -6.736 472 HG23 VAL 56 2HG2 VAL 56 0.314 4.543 -6.587 473 H GLN 57 H GLN 57 2.956 8.096 -6.701 474 HA GLN 57 HA GLN 57 5.876 8.226 -6.366 475 HB2 GLN 57 2HB GLN 57 3.820 10.391 -6.899 476 HB3 GLN 57 1HB GLN 57 5.538 10.692 -6.678 477 HG2 GLN 57 2HG GLN 57 4.368 8.965 -8.856 478 HG3 GLN 57 1HG GLN 57 4.814 10.658 -9.048 479 HE21 GLN 57 1HE2 GLN 57 7.182 10.461 -7.390 480 HE22 GLN 57 2HE2 GLN 57 8.348 9.582 -8.308 481 H PHE 58 H PHE 58 6.653 8.271 -4.338 482 HA PHE 58 HA PHE 58 4.868 8.997 -2.119 483 HB2 PHE 58 2HB PHE 58 7.594 7.679 -2.023 484 HB3 PHE 58 1HB PHE 58 6.453 7.829 -0.689 485 HD1 PHE 58 HD1 PHE 58 4.329 6.540 -0.733 486 HD2 PHE 58 HD2 PHE 58 7.386 5.938 -3.635 487 HE1 PHE 58 HE1 PHE 58 3.314 4.388 -1.351 488 HE2 PHE 58 HE2 PHE 58 6.375 3.781 -4.257 489 HZ PHE 58 HZ PHE 58 4.334 3.007 -3.114 490 H ASN 59 H ASN 59 6.623 10.844 -3.963 491 HA ASN 59 HA ASN 59 8.464 12.052 -2.080 492 HB2 ASN 59 2HB ASN 59 8.927 13.630 -3.975 493 HB3 ASN 59 1HB ASN 59 9.175 11.930 -4.360 494 HD21 ASN 59 1HD2 ASN 59 7.205 14.732 -4.922 495 HD22 ASN 59 2HD2 ASN 59 6.337 14.091 -6.273 496 H THR 60 H THR 60 5.168 12.453 -2.645 497 HA THR 60 HA THR 60 5.186 15.307 -1.876 498 HB THR 60 HB THR 60 3.917 14.996 -3.885 499 HG1 THR 60 HG1 THR 60 2.414 16.264 -3.099 500 HG21 THR 60 3HG2 THR 60 2.031 13.447 -4.060 501 HG22 THR 60 1HG2 THR 60 2.338 12.871 -2.421 502 HG23 THR 60 2HG2 THR 60 3.520 12.572 -3.694 503 H ASP 61 H ASP 61 3.434 16.034 -0.396 504 HA ASP 61 HA ASP 61 3.354 14.479 1.994 505 HB2 ASP 61 2HB ASP 61 3.324 16.944 2.015 506 HB3 ASP 61 1HB ASP 61 1.751 16.935 1.227 507 H ARG 62 H ARG 62 1.354 14.598 -0.806 508 HA ARG 62 HA ARG 62 -1.084 13.704 0.363 509 HB2 ARG 62 2HB ARG 62 -0.037 13.597 -2.467 510 HB3 ARG 62 1HB ARG 62 -1.625 12.987 -2.026 511 HG2 ARG 62 2HG ARG 62 -2.273 15.227 -1.261 512 HG3 ARG 62 1HG ARG 62 -0.678 15.836 -1.713 513 HD2 ARG 62 2HD ARG 62 -1.072 15.463 -4.013 514 HD3 ARG 62 1HD ARG 62 -2.477 14.448 -3.690 515 HE ARG 62 HE ARG 62 -3.260 16.805 -2.685 516 HH11 ARG 62 1HH1 ARG 62 -1.784 16.023 -5.710 517 HH12 ARG 62 2HH1 ARG 62 -2.647 17.255 -6.558 518 HH21 ARG 62 1HH2 ARG 62 -4.376 18.341 -3.795 519 HH22 ARG 62 2HH2 ARG 62 -4.111 18.541 -5.495 520 H ILE 63 H ILE 63 1.832 12.040 -0.551 521 HA ILE 63 HA ILE 63 0.492 9.464 0.007 522 HB ILE 63 HB ILE 63 2.691 9.875 -2.035 523 HG12 ILE 63 2HG1 ILE 63 0.559 10.814 -2.827 524 HG13 ILE 63 1HG1 ILE 63 0.983 9.368 -3.734 525 HG21 ILE 63 1HG2 ILE 63 2.277 7.536 -2.634 526 HG22 ILE 63 2HG2 ILE 63 1.088 7.412 -1.338 527 HG23 ILE 63 3HG2 ILE 63 2.786 7.692 -0.953 528 HD11 ILE 63 3HD1 ILE 63 -1.051 9.555 -1.516 529 HD12 ILE 63 1HD1 ILE 63 -0.610 8.079 -2.377 530 HD13 ILE 63 2HD1 ILE 63 -1.379 9.407 -3.242 531 H SER 64 H SER 64 1.349 8.419 1.680 532 HA SER 64 HA SER 64 4.239 8.650 2.219 533 HB2 SER 64 2HB SER 64 2.045 8.858 4.306 534 HB3 SER 64 1HB SER 64 3.766 8.725 4.665 535 HG SER 64 HG SER 64 3.577 10.704 2.971 536 H LEU 65 H LEU 65 5.231 6.747 2.695 537 HA LEU 65 HA LEU 65 3.555 4.405 3.342 538 HB2 LEU 65 2HB LEU 65 3.973 4.347 0.942 539 HB3 LEU 65 1HB LEU 65 5.696 4.528 1.212 540 HG LEU 65 HG LEU 65 5.669 2.309 2.403 541 HD11 LEU 65 1HD1 LEU 65 3.310 2.229 2.984 542 HD12 LEU 65 2HD1 LEU 65 3.778 0.815 2.043 543 HD13 LEU 65 3HD1 LEU 65 2.876 2.124 1.277 544 HD21 LEU 65 3HD2 LEU 65 5.611 0.982 0.366 545 HD22 LEU 65 1HD2 LEU 65 6.417 2.523 0.086 546 HD23 LEU 65 2HD2 LEU 65 4.762 2.279 -0.477 547 H TYR 66 H TYR 66 4.326 3.221 4.985 548 HA TYR 66 HA TYR 66 7.220 3.051 5.393 549 HB2 TYR 66 2HB TYR 66 7.184 3.583 7.693 550 HB3 TYR 66 1HB TYR 66 6.205 4.832 6.936 551 HD1 TYR 66 HD2 TYR 66 3.776 4.918 7.328 552 HD2 TYR 66 HD1 TYR 66 6.186 1.914 9.154 553 HE1 TYR 66 HE2 TYR 66 1.942 4.387 8.880 554 HE2 TYR 66 HE1 TYR 66 4.360 1.381 10.704 555 HH TYR 66 HH TYR 66 1.175 2.545 10.275 556 H GLN 67 H GLN 67 7.903 1.193 6.580 557 HA GLN 67 HA GLN 67 5.818 -0.843 7.067 558 HB2 GLN 67 2HB GLN 67 7.595 -2.563 6.575 559 HB3 GLN 67 1HB GLN 67 7.077 -1.618 5.188 560 HG2 GLN 67 2HG GLN 67 9.079 -0.254 5.325 561 HG3 GLN 67 1HG GLN 67 9.595 -1.116 6.773 562 HE21 GLN 67 1HE2 GLN 67 9.219 -1.287 3.324 563 HE22 GLN 67 2HE2 GLN 67 10.153 -2.719 3.088 564 H ASP 68 H ASP 68 5.677 -1.500 9.116 565 HA ASP 68 HA ASP 68 7.381 -0.260 11.079 566 HB2 ASP 68 2HB ASP 68 4.899 -0.414 11.298 567 HB3 ASP 68 1HB ASP 68 5.053 -2.158 11.481 568 H ASN 69 H ASN 69 8.187 -1.495 12.983 569 HA ASN 69 HA ASN 69 10.029 -3.479 12.348 570 HB2 ASN 69 2HB ASN 69 10.163 -2.057 14.350 571 HB3 ASN 69 1HB ASN 69 8.762 -2.869 15.034 572 HD21 ASN 69 1HD2 ASN 69 12.135 -3.146 14.256 573 HD22 ASN 69 2HD2 ASN 69 12.436 -4.556 15.210 574 H THR 70 H THR 70 6.678 -3.798 13.410 575 HA THR 70 HA THR 70 6.805 -6.661 13.786 576 HB THR 70 HB THR 70 5.163 -5.280 15.030 577 HG1 THR 70 HG1 THR 70 4.424 -7.479 13.455 578 HG21 THR 70 3HG2 THR 70 3.813 -4.958 12.340 579 HG22 THR 70 1HG2 THR 70 4.572 -3.672 13.283 580 HG23 THR 70 2HG2 THR 70 3.131 -4.481 13.894 581 H GLY 71 H GLY 71 7.079 -4.978 11.023 582 HA2 GLY 71 2HA GLY 71 7.008 -5.742 8.830 583 HA3 GLY 71 1HA GLY 71 6.167 -7.180 9.384 584 H ARG 72 H ARG 72 4.927 -4.027 10.222 585 HA ARG 72 HA ARG 72 2.535 -4.581 8.648 586 HB2 ARG 72 2HB ARG 72 2.344 -3.823 11.015 587 HB3 ARG 72 1HB ARG 72 3.068 -2.286 10.557 588 HG2 ARG 72 2HG ARG 72 1.186 -1.875 9.018 589 HG3 ARG 72 1HG ARG 72 0.453 -3.393 9.533 590 HD2 ARG 72 2HD ARG 72 -0.597 -1.582 10.720 591 HD3 ARG 72 1HD ARG 72 0.381 -2.512 11.858 592 HE ARG 72 HE ARG 72 1.422 -0.035 10.653 593 HH11 ARG 72 1HH1 ARG 72 0.521 -1.859 13.442 594 HH12 ARG 72 2HH1 ARG 72 1.220 -0.723 14.543 595 HH21 ARG 72 1HH2 ARG 72 2.299 1.422 12.071 596 HH22 ARG 72 2HH2 ARG 72 2.218 1.118 13.773 597 H VAL 73 H VAL 73 2.337 -3.831 6.642 598 HA VAL 73 HA VAL 73 3.836 -1.468 5.767 599 HB VAL 73 HB VAL 73 2.088 -3.387 4.195 600 HG11 VAL 73 1HG1 VAL 73 3.909 -1.190 3.194 601 HG12 VAL 73 2HG1 VAL 73 2.147 -1.168 3.160 602 HG13 VAL 73 3HG1 VAL 73 3.031 -2.345 2.191 603 HG21 VAL 73 3HG2 VAL 73 4.205 -4.248 3.294 604 HG22 VAL 73 1HG2 VAL 73 4.104 -4.459 5.043 605 HG23 VAL 73 2HG2 VAL 73 5.096 -3.168 4.366 606 H THR 74 H THR 74 2.894 0.506 5.543 607 HA THR 74 HA THR 74 -0.047 0.670 5.453 608 HB THR 74 HB THR 74 1.683 2.235 7.385 609 HG1 THR 74 HG1 THR 74 0.237 -0.087 7.579 610 HG21 THR 74 3HG2 THR 74 -0.122 3.641 6.510 611 HG22 THR 74 1HG2 THR 74 -0.435 3.204 8.190 612 HG23 THR 74 2HG2 THR 74 -1.303 2.386 6.889 613 H LEU 75 H LEU 75 -0.653 1.843 3.799 614 HA LEU 75 HA LEU 75 1.029 4.057 2.828 615 HB2 LEU 75 2HB LEU 75 0.484 2.283 1.196 616 HB3 LEU 75 1HB LEU 75 -1.227 2.572 1.461 617 HG LEU 75 HG LEU 75 -0.944 4.874 0.552 618 HD11 LEU 75 1HD1 LEU 75 1.106 5.426 -0.674 619 HD12 LEU 75 2HD1 LEU 75 1.852 3.937 -0.092 620 HD13 LEU 75 3HD1 LEU 75 1.410 5.208 1.049 621 HD21 LEU 75 3HD2 LEU 75 -0.048 2.651 -1.290 622 HD22 LEU 75 1HD2 LEU 75 -0.725 4.201 -1.792 623 HD23 LEU 75 2HD2 LEU 75 -1.717 3.055 -0.890 624 H LEU 76 H LEU 76 0.387 6.058 3.325 625 HA LEU 76 HA LEU 76 -2.433 6.548 4.050 626 HB2 LEU 76 2HB LEU 76 0.045 8.132 4.763 627 HB3 LEU 76 1HB LEU 76 -1.590 8.523 5.266 628 HG LEU 76 HG LEU 76 -0.071 6.027 6.059 629 HD11 LEU 76 1HD1 LEU 76 0.050 7.025 8.275 630 HD12 LEU 76 2HD1 LEU 76 -0.756 8.478 7.685 631 HD13 LEU 76 3HD1 LEU 76 0.848 8.054 7.085 632 HD21 LEU 76 3HD2 LEU 76 -2.780 7.051 6.928 633 HD22 LEU 76 1HD2 LEU 76 -1.928 5.680 7.641 634 HD23 LEU 76 2HD2 LEU 76 -2.462 5.608 5.963 635 H ILE 77 H ILE 77 -3.600 7.523 2.519 636 HA ILE 77 HA ILE 77 -2.253 9.320 0.592 637 HB ILE 77 HB ILE 77 -4.871 7.826 0.294 638 HG12 ILE 77 2HG1 ILE 77 -2.200 7.363 -1.065 639 HG13 ILE 77 1HG1 ILE 77 -2.847 6.374 0.240 640 HG21 ILE 77 1HG2 ILE 77 -4.846 9.970 -0.922 641 HG22 ILE 77 2HG2 ILE 77 -4.863 8.589 -2.018 642 HG23 ILE 77 3HG2 ILE 77 -3.363 9.476 -1.742 643 HD11 ILE 77 3HD1 ILE 77 -4.072 6.713 -2.492 644 HD12 ILE 77 1HD1 ILE 77 -4.710 5.709 -1.189 645 HD13 ILE 77 2HD1 ILE 77 -3.156 5.318 -1.926 646 H LYS 78 H LYS 78 -2.647 11.440 0.813 647 HA LYS 78 HA LYS 78 -5.058 12.337 2.258 648 HB2 LYS 78 2HB LYS 78 -2.563 13.951 1.714 649 HB3 LYS 78 1HB LYS 78 -3.872 14.351 2.812 650 HG2 LYS 78 2HG LYS 78 -3.204 12.539 4.294 651 HG3 LYS 78 1HG LYS 78 -1.918 12.082 3.168 652 HD2 LYS 78 2HD LYS 78 -1.075 14.479 3.404 653 HD3 LYS 78 1HD LYS 78 -2.180 14.621 4.771 654 HE2 LYS 78 2HE LYS 78 -1.030 12.843 5.937 655 HE3 LYS 78 1HE LYS 78 0.005 12.552 4.536 656 HZ1 LYS 78 3HZ LYS 78 0.773 14.910 4.805 657 HZ2 LYS 78 1HZ LYS 78 1.243 13.859 6.047 658 HZ3 LYS 78 2HZ LYS 78 -0.034 14.940 6.292 659 H ASP 79 H ASP 79 -6.190 14.216 1.484 660 HA ASP 79 HA ASP 79 -6.989 15.771 0.023 661 HB2 ASP 79 2HB ASP 79 -4.525 16.465 0.407 662 HB3 ASP 79 1HB ASP 79 -4.237 15.850 -1.216 663 H VAL 80 H VAL 80 -7.088 12.950 -0.760 664 HA VAL 80 HA VAL 80 -6.535 12.763 -3.581 665 HB VAL 80 HB VAL 80 -6.393 10.854 -1.923 666 HG11 VAL 80 1HG1 VAL 80 -9.392 10.848 -2.208 667 HG12 VAL 80 2HG1 VAL 80 -8.492 11.241 -0.740 668 HG13 VAL 80 3HG1 VAL 80 -8.425 9.610 -1.410 669 HG21 VAL 80 3HG2 VAL 80 -8.096 10.379 -4.369 670 HG22 VAL 80 1HG2 VAL 80 -7.184 9.153 -3.488 671 HG23 VAL 80 2HG2 VAL 80 -6.335 10.452 -4.325 672 H ASN 81 H ASN 81 -7.941 12.983 -5.284 673 HA ASN 81 HA ASN 81 -10.808 13.333 -4.653 674 HB2 ASN 81 2HB ASN 81 -10.932 14.894 -6.627 675 HB3 ASN 81 1HB ASN 81 -10.033 15.500 -5.247 676 HD21 ASN 81 1HD2 ASN 81 -8.845 13.224 -7.692 677 HD22 ASN 81 2HD2 ASN 81 -7.622 14.270 -8.294 678 H LYS 82 H LYS 82 -12.054 13.230 -6.996 679 HA LYS 82 HA LYS 82 -12.357 10.569 -7.552 680 HB2 LYS 82 2HB LYS 82 -12.864 12.960 -9.315 681 HB3 LYS 82 1HB LYS 82 -13.334 11.333 -9.787 682 HG2 LYS 82 2HG LYS 82 -14.280 12.727 -7.282 683 HG3 LYS 82 1HG LYS 82 -15.179 12.656 -8.801 684 HD2 LYS 82 2HD LYS 82 -14.851 10.072 -8.563 685 HD3 LYS 82 1HD LYS 82 -14.537 10.449 -6.865 686 HE2 LYS 82 2HE LYS 82 -16.708 11.371 -6.580 687 HE3 LYS 82 1HE LYS 82 -17.017 11.356 -8.318 688 HZ1 LYS 82 3HZ LYS 82 -17.047 8.980 -8.305 689 HZ2 LYS 82 1HZ LYS 82 -18.110 9.526 -7.108 690 HZ3 LYS 82 2HZ LYS 82 -16.593 8.919 -6.678 691 H LYS 83 H LYS 83 -10.253 12.779 -9.400 692 HA LYS 83 HA LYS 83 -9.608 10.923 -11.427 693 HB2 LYS 83 2HB LYS 83 -8.040 13.338 -10.511 694 HB3 LYS 83 1HB LYS 83 -7.816 12.492 -12.035 695 HG2 LYS 83 2HG LYS 83 -10.273 14.010 -11.167 696 HG3 LYS 83 1HG LYS 83 -9.094 14.518 -12.377 697 HD2 LYS 83 2HD LYS 83 -10.879 12.083 -12.561 698 HD3 LYS 83 1HD LYS 83 -11.133 13.608 -13.407 699 HE2 LYS 83 2HE LYS 83 -8.997 13.291 -14.590 700 HE3 LYS 83 1HE LYS 83 -8.768 11.757 -13.751 701 HZ1 LYS 83 3HZ LYS 83 -9.657 11.427 -15.965 702 HZ2 LYS 83 1HZ LYS 83 -10.996 12.395 -15.605 703 HZ3 LYS 83 2HZ LYS 83 -10.774 10.924 -14.801 704 H ASP 84 H ASP 84 -8.530 10.969 -8.196 705 HA ASP 84 HA ASP 84 -5.960 9.711 -8.834 706 HB2 ASP 84 2HB ASP 84 -7.081 10.550 -6.148 707 HB3 ASP 84 1HB ASP 84 -5.446 9.961 -6.455 708 H ALA 85 H ALA 85 -9.100 8.673 -8.267 709 HA ALA 85 HA ALA 85 -8.461 6.417 -6.564 710 HB1 ALA 85 3HB ALA 85 -10.814 5.826 -6.783 711 HB2 ALA 85 1HB ALA 85 -11.016 7.038 -8.049 712 HB3 ALA 85 2HB ALA 85 -10.636 7.538 -6.401 713 H GLY 86 H GLY 86 -8.361 4.273 -7.114 714 HA2 GLY 86 2HA GLY 86 -9.070 3.095 -9.554 715 HA3 GLY 86 1HA GLY 86 -7.370 3.534 -9.664 716 H TRP 87 H TRP 87 -7.451 1.029 -9.929 717 HA TRP 87 HA TRP 87 -7.437 -0.362 -7.369 718 HB2 TRP 87 2HB TRP 87 -7.341 -1.195 -10.223 719 HB3 TRP 87 1HB TRP 87 -6.540 -2.252 -9.065 720 HD1 TRP 87 HD1 TRP 87 -10.016 -1.009 -10.072 721 HE1 TRP 87 HE1 TRP 87 -11.776 -2.503 -8.938 722 HE3 TRP 87 HE3 TRP 87 -6.938 -3.711 -7.013 723 HZ2 TRP 87 HZ2 TRP 87 -11.851 -4.546 -6.990 724 HZ3 TRP 87 HZ3 TRP 87 -7.930 -5.409 -5.536 725 HH2 TRP 87 HH2 TRP 87 -10.338 -5.819 -5.525 726 H TYR 88 H TYR 88 -5.730 -0.552 -6.129 727 HA TYR 88 HA TYR 88 -3.055 0.086 -7.134 728 HB2 TYR 88 2HB TYR 88 -4.150 -0.255 -4.331 729 HB3 TYR 88 1HB TYR 88 -2.449 0.030 -4.678 730 HD1 TYR 88 HD1 TYR 88 -5.842 1.520 -5.049 731 HD2 TYR 88 HD2 TYR 88 -1.642 2.218 -5.009 732 HE1 TYR 88 HE1 TYR 88 -6.250 3.946 -5.054 733 HE2 TYR 88 HE2 TYR 88 -2.038 4.644 -5.014 734 HH TYR 88 HH TYR 88 -5.048 6.027 -4.389 735 H THR 89 H THR 89 -1.246 -1.290 -6.728 736 HA THR 89 HA THR 89 -1.803 -4.048 -5.866 737 HB THR 89 HB THR 89 -0.252 -3.359 -8.387 738 HG1 THR 89 HG1 THR 89 -2.568 -3.260 -8.600 739 HG21 THR 89 3HG2 THR 89 -0.892 -6.045 -7.143 740 HG22 THR 89 1HG2 THR 89 0.702 -5.295 -7.220 741 HG23 THR 89 2HG2 THR 89 -0.111 -5.796 -8.704 742 H VAL 90 H VAL 90 -0.323 -4.740 -4.425 743 HA VAL 90 HA VAL 90 2.186 -3.203 -4.170 744 HB VAL 90 HB VAL 90 0.781 -2.857 -2.241 745 HG11 VAL 90 1HG1 VAL 90 0.737 -5.859 -1.899 746 HG12 VAL 90 2HG1 VAL 90 -0.619 -4.858 -2.419 747 HG13 VAL 90 3HG1 VAL 90 0.038 -4.676 -0.792 748 HG21 VAL 90 3HG2 VAL 90 3.038 -4.755 -1.568 749 HG22 VAL 90 1HG2 VAL 90 2.284 -3.609 -0.460 750 HG23 VAL 90 2HG2 VAL 90 3.193 -3.020 -1.850 751 H SER 91 H SER 91 4.031 -4.228 -4.489 752 HA SER 91 HA SER 91 4.127 -7.180 -4.273 753 HB2 SER 91 2HB SER 91 5.689 -5.357 -6.131 754 HB3 SER 91 1HB SER 91 5.983 -7.087 -5.954 755 HG SER 91 HG SER 91 3.754 -7.385 -6.596 756 H ALA 92 H ALA 92 5.315 -7.883 -2.614 757 HA ALA 92 HA ALA 92 7.521 -6.200 -1.598 758 HB1 ALA 92 3HB ALA 92 5.772 -6.719 0.037 759 HB2 ALA 92 1HB ALA 92 7.307 -7.460 0.492 760 HB3 ALA 92 2HB ALA 92 6.030 -8.443 -0.226 761 H VAL 93 H VAL 93 9.500 -6.812 -2.276 762 HA VAL 93 HA VAL 93 9.933 -9.667 -2.898 763 HB VAL 93 HB VAL 93 10.134 -8.273 -4.871 764 HG11 VAL 93 1HG1 VAL 93 12.338 -6.804 -3.416 765 HG12 VAL 93 2HG1 VAL 93 10.744 -6.158 -3.812 766 HG13 VAL 93 3HG1 VAL 93 11.872 -6.572 -5.103 767 HG21 VAL 93 3HG2 VAL 93 11.572 -10.250 -4.694 768 HG22 VAL 93 1HG2 VAL 93 12.838 -9.272 -3.951 769 HG23 VAL 93 2HG2 VAL 93 12.357 -8.972 -5.621 770 H ASN 94 H ASN 94 11.071 -10.734 -1.494 771 HA ASN 94 HA ASN 94 13.343 -9.476 -0.084 772 HB2 ASN 94 2HB ASN 94 11.513 -10.437 1.339 773 HB3 ASN 94 1HB ASN 94 11.799 -12.007 0.604 774 HD21 ASN 94 1HD2 ASN 94 11.924 -11.443 3.363 775 HD22 ASN 94 2HD2 ASN 94 13.541 -11.717 3.887 776 H GLU 95 H GLU 95 15.362 -10.658 -0.067 777 HA GLU 95 HA GLU 95 16.138 -12.025 -2.366 778 HB2 GLU 95 2HB GLU 95 18.118 -12.742 -1.080 779 HB3 GLU 95 1HB GLU 95 17.744 -11.046 -0.797 780 HG2 GLU 95 2HG GLU 95 16.755 -11.572 1.344 781 HG3 GLU 95 1HG GLU 95 16.966 -13.297 1.054 782 H ALA 96 H ALA 96 14.818 -13.268 0.656 783 HA ALA 96 HA ALA 96 15.168 -16.037 0.052 784 HB1 ALA 96 3HB ALA 96 13.375 -14.703 2.074 785 HB2 ALA 96 1HB ALA 96 15.035 -15.241 2.341 786 HB3 ALA 96 2HB ALA 96 13.764 -16.423 2.018 787 H GLY 97 H GLY 97 12.770 -13.746 -0.958 788 HA2 GLY 97 2HA GLY 97 11.414 -15.397 -2.705 789 HA3 GLY 97 1HA GLY 97 10.561 -15.575 -1.181 790 H VAL 98 H VAL 98 8.974 -14.679 -3.063 791 HA VAL 98 HA VAL 98 8.710 -11.786 -2.584 792 HB VAL 98 HB VAL 98 9.901 -12.004 -4.718 793 HG11 VAL 98 1HG1 VAL 98 7.496 -13.585 -5.651 794 HG12 VAL 98 2HG1 VAL 98 9.125 -14.214 -5.398 795 HG13 VAL 98 3HG1 VAL 98 8.825 -13.035 -6.676 796 HG21 VAL 98 3HG2 VAL 98 8.439 -10.624 -6.088 797 HG22 VAL 98 1HG2 VAL 98 8.329 -10.137 -4.397 798 HG23 VAL 98 2HG2 VAL 98 7.043 -11.102 -5.122 799 H THR 99 H THR 99 6.608 -10.970 -2.621 800 HA THR 99 HA THR 99 4.401 -12.761 -3.358 801 HB THR 99 HB THR 99 4.669 -13.153 -0.962 802 HG1 THR 99 HG1 THR 99 2.533 -12.651 -0.376 803 HG21 THR 99 3HG2 THR 99 5.756 -10.997 -0.392 804 HG22 THR 99 1HG2 THR 99 4.411 -11.385 0.681 805 HG23 THR 99 2HG2 THR 99 4.202 -10.188 -0.597 806 H THR 100 H THR 100 2.569 -11.728 -4.099 807 HA THR 100 HA THR 100 2.558 -8.770 -4.071 808 HB THR 100 HB THR 100 1.928 -10.546 -6.451 809 HG1 THR 100 HG1 THR 100 4.155 -10.191 -6.153 810 HG21 THR 100 3HG2 THR 100 0.378 -8.642 -6.365 811 HG22 THR 100 1HG2 THR 100 1.522 -8.470 -7.697 812 HG23 THR 100 2HG2 THR 100 1.741 -7.532 -6.220 813 H CYS 101 H CYS 101 0.560 -7.761 -3.914 814 HA CYS 101 HA CYS 101 -1.895 -9.353 -4.029 815 HB2 CYS 101 2HB CYS 101 -1.225 -9.456 -1.662 816 HB3 CYS 101 1HB CYS 101 -1.158 -7.699 -1.597 817 HG CYS 101 HG CYS 101 -3.645 -9.592 -0.868 818 H ASN 102 H ASN 102 -3.869 -7.774 -3.637 819 HA ASN 102 HA ASN 102 -3.283 -5.284 -5.121 820 HB2 ASN 102 2HB ASN 102 -5.725 -7.046 -5.444 821 HB3 ASN 102 1HB ASN 102 -5.421 -5.539 -6.303 822 HD21 ASN 102 1HD2 ASN 102 -3.748 -5.487 -7.865 823 HD22 ASN 102 2HD2 ASN 102 -3.167 -6.942 -8.588 824 H THR 103 H THR 103 -4.899 -3.569 -4.884 825 HA THR 103 HA THR 103 -6.473 -3.612 -2.407 826 HB THR 103 HB THR 103 -4.476 -1.406 -3.000 827 HG1 THR 103 HG1 THR 103 -4.170 -3.801 -1.717 828 HG21 THR 103 3HG2 THR 103 -6.437 -0.635 -1.758 829 HG22 THR 103 1HG2 THR 103 -5.015 -0.655 -0.714 830 HG23 THR 103 2HG2 THR 103 -6.220 -1.934 -0.585 831 H ARG 104 H ARG 104 -8.223 -2.128 -2.413 832 HA ARG 104 HA ARG 104 -8.592 -0.618 -4.933 833 HB2 ARG 104 2HB ARG 104 -10.122 -2.492 -4.903 834 HB3 ARG 104 1HB ARG 104 -10.677 -2.069 -3.288 835 HG2 ARG 104 2HG ARG 104 -11.643 0.003 -4.153 836 HG3 ARG 104 1HG ARG 104 -11.067 -0.393 -5.770 837 HD2 ARG 104 2HD ARG 104 -12.535 -2.286 -5.900 838 HD3 ARG 104 1HD ARG 104 -12.978 -2.123 -4.199 839 HE ARG 104 HE ARG 104 -13.699 0.261 -5.246 840 HH11 ARG 104 1HH1 ARG 104 -14.409 -2.987 -6.168 841 HH12 ARG 104 2HH1 ARG 104 -15.974 -2.580 -6.771 842 HH21 ARG 104 1HH2 ARG 104 -15.683 0.768 -6.002 843 HH22 ARG 104 2HH2 ARG 104 -16.704 -0.466 -6.668 844 H LEU 105 H LEU 105 -9.263 1.476 -4.817 845 HA LEU 105 HA LEU 105 -10.085 2.570 -2.209 846 HB2 LEU 105 2HB LEU 105 -7.753 3.164 -2.445 847 HB3 LEU 105 1HB LEU 105 -8.016 3.732 -4.084 848 HG LEU 105 HG LEU 105 -9.417 5.575 -3.211 849 HD11 LEU 105 1HD1 LEU 105 -9.479 6.066 -0.833 850 HD12 LEU 105 2HD1 LEU 105 -8.571 4.595 -0.484 851 HD13 LEU 105 3HD1 LEU 105 -10.198 4.489 -1.157 852 HD21 LEU 105 3HD2 LEU 105 -6.650 5.416 -2.007 853 HD22 LEU 105 1HD2 LEU 105 -7.590 6.892 -2.236 854 HD23 LEU 105 2HD2 LEU 105 -7.053 5.963 -3.635 855 H ASP 106 H ASP 106 -12.013 3.540 -2.392 856 HA ASP 106 HA ASP 106 -12.825 4.590 -5.031 857 HB2 ASP 106 2HB ASP 106 -14.536 3.700 -2.694 858 HB3 ASP 106 1HB ASP 106 -15.152 4.330 -4.219 859 H VAL 107 H VAL 107 -13.537 6.690 -5.244 860 HA VAL 107 HA VAL 107 -13.507 8.381 -2.821 861 HB VAL 107 HB VAL 107 -12.485 9.176 -5.564 862 HG11 VAL 107 1HG1 VAL 107 -12.517 10.722 -2.967 863 HG12 VAL 107 2HG1 VAL 107 -13.500 11.057 -4.392 864 HG13 VAL 107 3HG1 VAL 107 -11.749 11.246 -4.466 865 HG21 VAL 107 3HG2 VAL 107 -10.962 8.668 -2.999 866 HG22 VAL 107 1HG2 VAL 107 -10.271 9.263 -4.509 867 HG23 VAL 107 2HG2 VAL 107 -10.952 7.638 -4.432 868 H THR 108 H THR 108 -15.016 10.021 -2.694 869 HA THR 108 HA THR 108 -17.097 10.098 -4.794 870 HB THR 108 HB THR 108 -17.487 10.238 -1.797 871 HG1 THR 108 HG1 THR 108 -18.433 8.316 -3.682 872 HG21 THR 108 3HG2 THR 108 -19.907 10.296 -2.303 873 HG22 THR 108 1HG2 THR 108 -19.530 10.447 -4.020 874 HG23 THR 108 2HG2 THR 108 -19.072 11.729 -2.898 875 H ALA 109 H ALA 109 -18.114 12.135 -5.146 876 HA ALA 109 HA ALA 109 -16.252 14.302 -4.874 877 HB1 ALA 109 3HB ALA 109 -17.775 15.544 -6.289 878 HB2 ALA 109 1HB ALA 109 -19.025 14.318 -6.060 879 HB3 ALA 109 2HB ALA 109 -17.545 13.916 -6.928 880 H ARG 110 H ARG 110 -16.132 15.682 -3.200 881 HA ARG 110 HA ARG 110 -18.185 15.911 -1.220 882 HB2 ARG 110 2HB ARG 110 -15.604 16.356 -1.011 883 HB3 ARG 110 1HB ARG 110 -16.016 17.970 -1.570 884 HG2 ARG 110 2HG ARG 110 -17.586 18.191 0.327 885 HG3 ARG 110 1HG ARG 110 -17.071 16.612 0.908 886 HD2 ARG 110 2HD ARG 110 -15.282 19.029 0.574 887 HD3 ARG 110 1HD ARG 110 -15.965 18.472 2.098 888 HE ARG 110 HE ARG 110 -14.408 16.463 0.769 889 HH11 ARG 110 1HH1 ARG 110 -14.235 19.204 2.863 890 HH12 ARG 110 2HH1 ARG 110 -12.738 18.701 3.557 891 HH21 ARG 110 1HH2 ARG 110 -12.506 15.831 1.702 892 HH22 ARG 110 2HH2 ARG 110 -11.780 16.816 2.927 893 HA PRO 111 HA PRO 111 -20.684 18.231 -3.906 894 HB2 PRO 111 2HB PRO 111 -22.814 18.707 -2.334 895 HB3 PRO 111 1HB PRO 111 -22.363 17.080 -2.854 896 HG2 PRO 111 2HG PRO 111 -21.846 18.443 -0.234 897 HG3 PRO 111 1HG PRO 111 -22.381 16.780 -0.542 898 HD2 PRO 111 2HD PRO 111 -19.785 17.472 0.015 899 HD3 PRO 111 1HD PRO 111 -20.237 16.038 -0.926 900 H ASN 112 H ASN 112 -20.333 19.945 -0.751 901 HA ASN 112 HA ASN 112 -20.797 22.464 -2.227 902 HB2 ASN 112 2HB ASN 112 -21.619 23.421 -0.104 903 HB3 ASN 112 1HB ASN 112 -22.576 22.041 -0.633 904 HD21 ASN 112 1HD2 ASN 112 -22.271 23.176 2.017 905 HD22 ASN 112 2HD2 ASN 112 -21.702 21.893 3.023 906 H GLN 113 H GLN 113 -18.976 21.105 0.510 907 HA GLN 113 HA GLN 113 -17.193 23.364 0.655 908 HB2 GLN 113 2HB GLN 113 -17.749 22.053 2.651 909 HB3 GLN 113 1HB GLN 113 -17.033 20.618 1.928 910 HG2 GLN 113 2HG GLN 113 -14.838 21.709 1.940 911 HG3 GLN 113 1HG GLN 113 -15.559 23.148 2.658 912 HE21 GLN 113 1HE2 GLN 113 -16.219 23.084 4.815 913 HE22 GLN 113 2HE2 GLN 113 -15.701 21.840 5.897 914 H THR 114 H THR 114 -15.855 23.682 -1.054 915 HA THR 114 HA THR 114 -14.662 21.465 -2.485 916 HB THR 114 HB THR 114 -13.506 23.228 -3.817 917 HG1 THR 114 HG1 THR 114 -13.468 25.227 -3.120 918 HG21 THR 114 3HG2 THR 114 -16.488 23.636 -3.495 919 HG22 THR 114 1HG2 THR 114 -15.715 22.416 -4.511 920 HG23 THR 114 2HG2 THR 114 -15.524 24.128 -4.888 921 H LEU 115 H LEU 115 -13.222 20.379 -1.257 922 HA LEU 115 HA LEU 115 -11.297 19.837 -0.194 923 HB2 LEU 115 2HB LEU 115 -10.399 22.574 -1.108 924 HB3 LEU 115 1HB LEU 115 -9.348 21.404 -0.333 925 HG LEU 115 HG LEU 115 -10.712 21.071 -3.012 926 HD11 LEU 115 1HD1 LEU 115 -8.439 21.142 -3.910 927 HD12 LEU 115 2HD1 LEU 115 -7.805 21.443 -2.292 928 HD13 LEU 115 3HD1 LEU 115 -8.845 22.637 -3.069 929 HD21 LEU 115 3HD2 LEU 115 -9.445 18.988 -3.196 930 HD22 LEU 115 1HD2 LEU 115 -10.558 18.935 -1.829 931 HD23 LEU 115 2HD2 LEU 115 -8.836 19.203 -1.554 932 HA PRO 116 HA PRO 116 -11.670 21.376 3.962 933 HB2 PRO 116 2HB PRO 116 -9.333 20.490 5.036 934 HB3 PRO 116 1HB PRO 116 -10.682 19.417 4.647 935 HG2 PRO 116 2HG PRO 116 -8.184 19.968 3.079 936 HG3 PRO 116 1HG PRO 116 -8.985 18.417 3.396 937 HD2 PRO 116 2HD PRO 116 -9.264 19.756 1.053 938 HD3 PRO 116 1HD PRO 116 -10.556 18.744 1.736 Start of MODEL 3 1 H1 MET 1 1H MET 1 39.934 -37.358 12.972 2 H2 MET 1 2H MET 1 39.549 -36.826 11.411 3 H3 MET 1 3H MET 1 39.797 -38.470 11.705 4 HA MET 1 HA MET 1 37.446 -37.954 11.472 5 HB2 MET 1 2HB MET 1 38.305 -39.821 12.911 6 HB3 MET 1 1HB MET 1 38.204 -38.751 14.298 7 HG2 MET 1 2HG MET 1 35.778 -38.580 13.982 8 HG3 MET 1 1HG MET 1 35.890 -39.654 12.590 9 HE1 MET 1 3HE MET 1 37.085 -43.003 14.266 10 HE2 MET 1 1HE MET 1 38.125 -41.736 13.617 11 HE3 MET 1 2HE MET 1 36.661 -42.203 12.753 12 H GLY 2 H GLY 2 38.873 -35.361 12.365 13 HA2 GLY 2 2HA GLY 2 36.860 -34.338 14.264 14 HA3 GLY 2 1HA GLY 2 38.416 -33.599 13.931 15 H HIS 3 H HIS 3 36.639 -31.786 13.895 16 HA HIS 3 HA HIS 3 35.657 -30.115 12.741 17 HB2 HIS 3 2HB HIS 3 37.167 -31.416 10.482 18 HB3 HIS 3 1HB HIS 3 36.133 -30.017 10.203 19 HD1 HIS 3 HD1 HIS 3 39.318 -31.018 11.960 20 HD2 HIS 3 HD2 HIS 3 37.161 -27.589 11.036 21 HE1 HIS 3 HE1 HIS 3 40.837 -29.100 12.506 22 HE2 HIS 3 HE2 HIS 3 39.455 -27.043 12.093 23 H HIS 4 H HIS 4 35.292 -32.817 10.402 24 HA HIS 4 HA HIS 4 33.480 -33.701 9.367 25 HB2 HIS 4 2HB HIS 4 31.953 -32.672 11.775 26 HB3 HIS 4 1HB HIS 4 31.320 -33.796 10.577 27 HD1 HIS 4 HD1 HIS 4 31.866 -36.246 10.892 28 HD2 HIS 4 HD2 HIS 4 34.032 -33.768 13.427 29 HE1 HIS 4 HE1 HIS 4 32.993 -37.776 12.531 30 HE2 HIS 4 HE2 HIS 4 34.447 -36.269 13.915 31 H HIS 5 H HIS 5 31.757 -30.971 10.871 32 HA HIS 5 HA HIS 5 31.159 -29.957 8.160 33 HB2 HIS 5 2HB HIS 5 29.519 -29.709 10.695 34 HB3 HIS 5 1HB HIS 5 29.089 -29.007 9.141 35 HD1 HIS 5 HD1 HIS 5 28.692 -32.018 11.136 36 HD2 HIS 5 HD2 HIS 5 28.562 -31.062 7.095 37 HE1 HIS 5 HE1 HIS 5 27.502 -33.930 10.028 38 HE2 HIS 5 HE2 HIS 5 27.572 -33.398 7.578 39 H HIS 6 H HIS 6 31.987 -28.039 7.652 40 HA HIS 6 HA HIS 6 33.079 -26.269 9.683 41 HB2 HIS 6 2HB HIS 6 33.753 -24.873 7.719 42 HB3 HIS 6 1HB HIS 6 34.354 -26.524 7.650 43 HD1 HIS 6 HD1 HIS 6 33.464 -28.037 5.766 44 HD2 HIS 6 HD2 HIS 6 31.855 -24.205 5.742 45 HE1 HIS 6 HE1 HIS 6 32.293 -27.812 3.558 46 HE2 HIS 6 HE2 HIS 6 31.448 -25.444 3.510 47 H HIS 7 H HIS 7 30.475 -26.466 10.238 48 HA HIS 7 HA HIS 7 28.799 -24.681 8.731 49 HB2 HIS 7 2HB HIS 7 28.001 -26.806 9.771 50 HB3 HIS 7 1HB HIS 7 28.230 -26.079 11.356 51 HD1 HIS 7 HD1 HIS 7 26.290 -24.803 12.275 52 HD2 HIS 7 HD2 HIS 7 25.968 -25.415 8.178 53 HE1 HIS 7 HE1 HIS 7 24.010 -23.964 11.648 54 HE2 HIS 7 HE2 HIS 7 23.900 -24.206 9.152 55 H HIS 8 H HIS 8 30.532 -22.923 9.267 56 HA HIS 8 HA HIS 8 30.155 -21.565 11.789 57 HB2 HIS 8 2HB HIS 8 31.518 -19.737 10.599 58 HB3 HIS 8 1HB HIS 8 32.309 -21.281 10.887 59 HD1 HIS 8 HD1 HIS 8 33.682 -21.953 8.952 60 HD2 HIS 8 HD2 HIS 8 30.276 -19.883 7.753 61 HE1 HIS 8 HE1 HIS 8 33.786 -21.865 6.443 62 HE2 HIS 8 HE2 HIS 8 31.791 -20.508 5.755 63 H SER 9 H SER 9 28.354 -21.761 8.994 64 HA SER 9 HA SER 9 27.288 -19.048 9.086 65 HB2 SER 9 2HB SER 9 25.918 -19.817 7.129 66 HB3 SER 9 1HB SER 9 27.658 -19.961 6.881 67 HG SER 9 HG SER 9 26.059 -21.835 6.417 68 H HIS 10 H HIS 10 25.317 -18.484 9.883 69 HA HIS 10 HA HIS 10 23.287 -20.480 10.424 70 HB2 HIS 10 2HB HIS 10 23.037 -19.881 12.817 71 HB3 HIS 10 1HB HIS 10 24.591 -20.632 12.480 72 HD1 HIS 10 HD1 HIS 10 23.055 -17.565 13.823 73 HD2 HIS 10 HD2 HIS 10 26.817 -18.812 12.572 74 HE1 HIS 10 HE1 HIS 10 24.659 -15.863 14.725 75 HE2 HIS 10 HE2 HIS 10 26.898 -16.533 13.804 76 H GLU 11 H GLU 11 22.469 -19.067 8.672 77 HA GLU 11 HA GLU 11 21.543 -16.420 9.615 78 HB2 GLU 11 2HB GLU 11 22.218 -17.328 6.808 79 HB3 GLU 11 1HB GLU 11 21.615 -15.732 7.242 80 HG2 GLU 11 2HG GLU 11 23.608 -15.231 8.474 81 HG3 GLU 11 1HG GLU 11 24.188 -16.887 8.311 82 H HIS 12 H HIS 12 19.438 -15.773 9.196 83 HA HIS 12 HA HIS 12 17.620 -17.903 8.259 84 HB2 HIS 12 2HB HIS 12 17.194 -15.624 10.185 85 HB3 HIS 12 1HB HIS 12 15.840 -16.470 9.443 86 HD1 HIS 12 HD1 HIS 12 17.538 -16.495 12.477 87 HD2 HIS 12 HD2 HIS 12 16.418 -19.496 9.829 88 HE1 HIS 12 HE1 HIS 12 17.505 -18.610 13.828 89 HE2 HIS 12 HE2 HIS 12 16.694 -20.383 12.237 90 H LYS 13 H LYS 13 16.882 -17.702 6.296 91 HA LYS 13 HA LYS 13 16.193 -15.026 5.233 92 HB2 LYS 13 2HB LYS 13 16.885 -17.559 3.700 93 HB3 LYS 13 1HB LYS 13 16.492 -16.002 2.983 94 HG2 LYS 13 2HG LYS 13 18.518 -15.033 3.696 95 HG3 LYS 13 1HG LYS 13 18.824 -16.322 4.860 96 HD2 LYS 13 2HD LYS 13 20.300 -16.593 2.968 97 HD3 LYS 13 1HD LYS 13 19.125 -17.908 2.977 98 HE2 LYS 13 2HE LYS 13 19.346 -17.170 0.721 99 HE3 LYS 13 1HE LYS 13 17.787 -16.589 1.304 100 HZ1 LYS 13 3HZ LYS 13 20.278 -14.992 1.090 101 HZ2 LYS 13 1HZ LYS 13 18.811 -14.419 1.703 102 HZ3 LYS 13 2HZ LYS 13 18.931 -14.876 0.079 103 H ARG 14 H ARG 14 14.011 -14.687 5.047 104 HA ARG 14 HA ARG 14 12.246 -17.045 4.834 105 HB2 ARG 14 2HB ARG 14 12.504 -16.166 7.220 106 HB3 ARG 14 1HB ARG 14 11.644 -14.732 6.681 107 HG2 ARG 14 2HG ARG 14 10.098 -16.220 7.754 108 HG3 ARG 14 1HG ARG 14 9.731 -16.173 6.029 109 HD2 ARG 14 2HD ARG 14 10.984 -18.267 5.719 110 HD3 ARG 14 1HD ARG 14 11.314 -18.316 7.449 111 HE ARG 14 HE ARG 14 8.663 -18.262 7.461 112 HH11 ARG 14 1HH1 ARG 14 10.836 -20.104 5.522 113 HH12 ARG 14 2HH1 ARG 14 9.749 -21.437 5.373 114 HH21 ARG 14 1HH2 ARG 14 7.269 -19.970 7.260 115 HH22 ARG 14 2HH2 ARG 14 7.735 -21.364 6.352 116 H ALA 15 H ALA 15 10.894 -16.864 3.184 117 HA ALA 15 HA ALA 15 10.604 -14.532 1.628 118 HB1 ALA 15 3HB ALA 15 8.890 -17.020 1.632 119 HB2 ALA 15 1HB ALA 15 10.373 -16.786 0.705 120 HB3 ALA 15 2HB ALA 15 8.951 -15.803 0.356 121 HA PRO 16 HA PRO 16 7.476 -12.280 3.790 122 HB2 PRO 16 2HB PRO 16 6.432 -10.814 1.738 123 HB3 PRO 16 1HB PRO 16 8.010 -10.483 2.465 124 HG2 PRO 16 2HG PRO 16 7.356 -11.985 -0.047 125 HG3 PRO 16 1HG PRO 16 8.626 -10.779 0.233 126 HD2 PRO 16 2HD PRO 16 9.139 -13.429 0.221 127 HD3 PRO 16 1HD PRO 16 10.016 -12.304 1.280 128 H MET 17 H MET 17 5.530 -12.836 4.510 129 HA MET 17 HA MET 17 3.579 -14.051 2.649 130 HB2 MET 17 2HB MET 17 4.275 -15.769 4.141 131 HB3 MET 17 1HB MET 17 4.200 -14.697 5.533 132 HG2 MET 17 2HG MET 17 2.360 -16.316 5.495 133 HG3 MET 17 1HG MET 17 1.789 -14.650 5.423 134 HE1 MET 17 3HE MET 17 -0.589 -15.274 4.613 135 HE2 MET 17 1HE MET 17 -0.189 -16.990 4.733 136 HE3 MET 17 2HE MET 17 -0.933 -16.357 3.263 137 H PHE 18 H PHE 18 1.818 -12.810 2.328 138 HA PHE 18 HA PHE 18 1.123 -10.606 4.007 139 HB2 PHE 18 2HB PHE 18 -0.198 -11.950 1.666 140 HB3 PHE 18 1HB PHE 18 -1.095 -10.773 2.616 141 HD1 PHE 18 HD1 PHE 18 -0.367 -8.424 2.692 142 HD2 PHE 18 HD2 PHE 18 1.521 -11.264 0.139 143 HE1 PHE 18 HE1 PHE 18 0.595 -6.588 1.366 144 HE2 PHE 18 HE2 PHE 18 2.496 -9.430 -1.184 145 HZ PHE 18 HZ PHE 18 2.029 -7.089 -0.574 146 H ILE 19 H ILE 19 0.535 -11.067 6.068 147 HA ILE 19 HA ILE 19 -1.264 -13.202 6.770 148 HB ILE 19 HB ILE 19 -0.569 -10.777 8.446 149 HG12 ILE 19 2HG1 ILE 19 0.899 -13.429 8.297 150 HG13 ILE 19 1HG1 ILE 19 1.489 -11.909 7.633 151 HG21 ILE 19 1HG2 ILE 19 -1.482 -13.559 9.201 152 HG22 ILE 19 2HG2 ILE 19 -2.442 -12.082 9.298 153 HG23 ILE 19 3HG2 ILE 19 -1.035 -12.287 10.340 154 HD11 ILE 19 3HD1 ILE 19 0.990 -12.499 10.541 155 HD12 ILE 19 1HD1 ILE 19 1.557 -10.961 9.888 156 HD13 ILE 19 2HD1 ILE 19 2.558 -12.405 9.739 157 H TYR 20 H TYR 20 -1.508 -9.839 5.932 158 HA TYR 20 HA TYR 20 -4.423 -10.078 5.692 159 HB2 TYR 20 2HB TYR 20 -3.006 -7.793 7.093 160 HB3 TYR 20 1HB TYR 20 -4.678 -7.726 6.557 161 HD1 TYR 20 HD1 TYR 20 -6.335 -9.368 7.582 162 HD2 TYR 20 HD2 TYR 20 -2.447 -8.699 9.175 163 HE1 TYR 20 HE1 TYR 20 -7.072 -10.266 9.745 164 HE2 TYR 20 HE2 TYR 20 -3.163 -9.598 11.336 165 HH TYR 20 HH TYR 20 -5.355 -9.834 12.581 166 H LYS 21 H LYS 21 -5.220 -9.040 3.885 167 HA LYS 21 HA LYS 21 -3.399 -7.318 2.353 168 HB2 LYS 21 2HB LYS 21 -5.048 -7.439 0.552 169 HB3 LYS 21 1HB LYS 21 -4.613 -9.056 1.091 170 HG2 LYS 21 2HG LYS 21 -6.679 -9.348 2.211 171 HG3 LYS 21 1HG LYS 21 -7.081 -7.634 2.071 172 HD2 LYS 21 2HD LYS 21 -6.768 -9.508 -0.280 173 HD3 LYS 21 1HD LYS 21 -8.314 -9.112 0.474 174 HE2 LYS 21 2HE LYS 21 -6.425 -7.115 -0.792 175 HE3 LYS 21 1HE LYS 21 -7.877 -7.765 -1.551 176 HZ1 LYS 21 3HZ LYS 21 -8.331 -5.616 -0.600 177 HZ2 LYS 21 1HZ LYS 21 -7.784 -6.117 0.919 178 HZ3 LYS 21 2HZ LYS 21 -9.182 -6.794 0.259 179 HA PRO 22 HA PRO 22 -5.517 -3.656 3.782 180 HB2 PRO 22 2HB PRO 22 -5.150 -2.250 1.288 181 HB3 PRO 22 1HB PRO 22 -4.284 -2.034 2.808 182 HG2 PRO 22 2HG PRO 22 -3.223 -3.096 0.481 183 HG3 PRO 22 1HG PRO 22 -2.525 -3.273 2.096 184 HD2 PRO 22 2HD PRO 22 -4.041 -5.224 0.458 185 HD3 PRO 22 1HD PRO 22 -2.826 -5.507 1.722 186 H GLN 23 H GLN 23 -7.617 -2.941 3.756 187 HA GLN 23 HA GLN 23 -9.313 -4.195 1.729 188 HB2 GLN 23 2HB GLN 23 -10.005 -3.065 4.447 189 HB3 GLN 23 1HB GLN 23 -11.171 -3.786 3.343 190 HG2 GLN 23 2HG GLN 23 -8.818 -5.167 4.629 191 HG3 GLN 23 1HG GLN 23 -10.519 -5.380 5.041 192 HE21 GLN 23 1HE2 GLN 23 -11.846 -6.553 3.647 193 HE22 GLN 23 2HE2 GLN 23 -11.202 -7.574 2.411 194 H SER 24 H SER 24 -10.964 -3.116 0.634 195 HA SER 24 HA SER 24 -10.260 -0.602 -0.366 196 HB2 SER 24 2HB SER 24 -12.446 -0.651 -1.542 197 HB3 SER 24 1HB SER 24 -11.553 -2.164 -1.697 198 HG SER 24 HG SER 24 -13.378 -2.993 -1.039 199 H LYS 25 H LYS 25 -10.481 1.361 0.412 200 HA LYS 25 HA LYS 25 -12.689 1.952 2.292 201 HB2 LYS 25 2HB LYS 25 -10.035 3.406 2.075 202 HB3 LYS 25 1HB LYS 25 -11.279 3.669 3.288 203 HG2 LYS 25 2HG LYS 25 -9.713 1.109 2.967 204 HG3 LYS 25 1HG LYS 25 -9.318 2.391 4.110 205 HD2 LYS 25 2HD LYS 25 -12.069 1.213 4.158 206 HD3 LYS 25 1HD LYS 25 -10.738 0.284 4.845 207 HE2 LYS 25 2HE LYS 25 -11.813 1.568 6.587 208 HE3 LYS 25 1HE LYS 25 -10.191 2.194 6.311 209 HZ1 LYS 25 3HZ LYS 25 -11.775 3.980 6.572 210 HZ2 LYS 25 1HZ LYS 25 -12.714 3.388 5.298 211 HZ3 LYS 25 2HZ LYS 25 -11.165 3.985 4.999 212 H LYS 26 H LYS 26 -14.001 3.706 1.844 213 HA LYS 26 HA LYS 26 -13.430 5.152 -0.667 214 HB2 LYS 26 2HB LYS 26 -15.941 5.312 -0.932 215 HB3 LYS 26 1HB LYS 26 -15.238 3.716 -1.143 216 HG2 LYS 26 2HG LYS 26 -15.909 3.170 1.191 217 HG3 LYS 26 1HG LYS 26 -16.730 4.729 1.271 218 HD2 LYS 26 2HD LYS 26 -18.371 3.064 0.747 219 HD3 LYS 26 1HD LYS 26 -18.105 4.030 -0.702 220 HE2 LYS 26 2HE LYS 26 -16.786 1.360 -0.192 221 HE3 LYS 26 1HE LYS 26 -18.287 1.556 -1.090 222 HZ1 LYS 26 3HZ LYS 26 -17.006 3.068 -2.603 223 HZ2 LYS 26 1HZ LYS 26 -16.561 1.440 -2.669 224 HZ3 LYS 26 2HZ LYS 26 -15.595 2.544 -1.836 225 H VAL 27 H VAL 27 -13.068 7.224 -0.426 226 HA VAL 27 HA VAL 27 -14.271 8.665 1.867 227 HB VAL 27 HB VAL 27 -12.266 10.067 1.978 228 HG11 VAL 27 1HG1 VAL 27 -10.702 8.409 2.872 229 HG12 VAL 27 2HG1 VAL 27 -11.599 7.119 2.068 230 HG13 VAL 27 3HG1 VAL 27 -12.359 8.048 3.362 231 HG21 VAL 27 3HG2 VAL 27 -11.157 8.272 -0.189 232 HG22 VAL 27 1HG2 VAL 27 -10.254 9.511 0.683 233 HG23 VAL 27 2HG2 VAL 27 -11.592 9.971 -0.370 234 H LEU 28 H LEU 28 -13.980 11.198 1.434 235 HA LEU 28 HA LEU 28 -15.333 11.729 -1.103 236 HB2 LEU 28 2HB LEU 28 -14.827 13.502 1.293 237 HB3 LEU 28 1HB LEU 28 -15.695 14.006 -0.145 238 HG LEU 28 HG LEU 28 -16.575 11.791 1.721 239 HD11 LEU 28 1HD1 LEU 28 -16.711 13.984 2.793 240 HD12 LEU 28 2HD1 LEU 28 -18.315 13.349 2.440 241 HD13 LEU 28 3HD1 LEU 28 -17.625 14.610 1.420 242 HD21 LEU 28 3HD2 LEU 28 -17.328 11.446 -0.572 243 HD22 LEU 28 1HD2 LEU 28 -17.979 13.085 -0.622 244 HD23 LEU 28 2HD2 LEU 28 -18.681 11.888 0.468 245 H GLU 29 H GLU 29 -14.711 13.592 -2.429 246 HA GLU 29 HA GLU 29 -12.056 13.519 -3.264 247 HB2 GLU 29 2HB GLU 29 -14.181 15.621 -3.712 248 HB3 GLU 29 1HB GLU 29 -12.618 15.638 -4.524 249 HG2 GLU 29 2HG GLU 29 -13.161 13.363 -5.421 250 HG3 GLU 29 1HG GLU 29 -14.780 13.553 -4.744 251 H GLY 30 H GLY 30 -10.345 14.057 -2.056 252 HA2 GLY 30 2HA GLY 30 -8.874 15.901 -1.520 253 HA3 GLY 30 1HA GLY 30 -10.267 16.789 -0.929 254 H ASP 31 H ASP 31 -10.899 13.879 0.273 255 HA ASP 31 HA ASP 31 -9.862 14.542 2.882 256 HB2 ASP 31 2HB ASP 31 -11.542 12.237 1.881 257 HB3 ASP 31 1HB ASP 31 -11.054 12.418 3.563 258 H SER 32 H SER 32 -9.159 12.345 4.166 259 HA SER 32 HA SER 32 -6.791 11.338 2.706 260 HB2 SER 32 2HB SER 32 -5.633 11.205 4.861 261 HB3 SER 32 1HB SER 32 -6.215 12.845 4.583 262 HG SER 32 HG SER 32 -7.390 12.680 6.312 263 H VAL 33 H VAL 33 -6.011 9.220 3.298 264 HA VAL 33 HA VAL 33 -7.828 7.432 4.716 265 HB VAL 33 HB VAL 33 -8.633 7.413 2.364 266 HG11 VAL 33 1HG1 VAL 33 -5.875 6.345 1.732 267 HG12 VAL 33 2HG1 VAL 33 -6.539 7.899 1.224 268 HG13 VAL 33 3HG1 VAL 33 -7.236 6.399 0.609 269 HG21 VAL 33 3HG2 VAL 33 -8.654 4.974 2.078 270 HG22 VAL 33 1HG2 VAL 33 -8.915 5.423 3.765 271 HG23 VAL 33 2HG2 VAL 33 -7.340 4.823 3.245 272 H LYS 34 H LYS 34 -6.837 5.485 5.414 273 HA LYS 34 HA LYS 34 -3.960 5.213 4.815 274 HB2 LYS 34 2HB LYS 34 -3.637 4.355 7.121 275 HB3 LYS 34 1HB LYS 34 -4.137 6.037 7.069 276 HG2 LYS 34 2HG LYS 34 -6.341 5.501 7.777 277 HG3 LYS 34 1HG LYS 34 -6.064 3.774 7.550 278 HD2 LYS 34 2HD LYS 34 -4.661 5.527 9.579 279 HD3 LYS 34 1HD LYS 34 -5.986 4.415 9.928 280 HE2 LYS 34 2HE LYS 34 -4.589 2.542 9.115 281 HE3 LYS 34 1HE LYS 34 -3.262 3.671 8.855 282 HZ1 LYS 34 3HZ LYS 34 -4.534 3.100 11.474 283 HZ2 LYS 34 1HZ LYS 34 -3.223 4.137 11.213 284 HZ3 LYS 34 2HZ LYS 34 -3.057 2.475 10.944 285 H LEU 35 H LEU 35 -3.436 3.345 3.900 286 HA LEU 35 HA LEU 35 -5.195 0.997 4.271 287 HB2 LEU 35 2HB LEU 35 -3.255 1.618 2.029 288 HB3 LEU 35 1HB LEU 35 -4.244 0.174 2.140 289 HG LEU 35 HG LEU 35 -5.313 2.992 1.848 290 HD11 LEU 35 1HD1 LEU 35 -5.908 2.316 -0.429 291 HD12 LEU 35 2HD1 LEU 35 -5.108 0.764 -0.183 292 HD13 LEU 35 3HD1 LEU 35 -4.164 2.254 -0.174 293 HD21 LEU 35 3HD2 LEU 35 -6.850 1.537 3.056 294 HD22 LEU 35 1HD2 LEU 35 -6.727 0.322 1.782 295 HD23 LEU 35 2HD2 LEU 35 -7.466 1.888 1.442 296 H GLU 36 H GLU 36 -4.354 -0.433 5.723 297 HA GLU 36 HA GLU 36 -1.430 -0.818 5.721 298 HB2 GLU 36 2HB GLU 36 -1.498 -1.143 8.172 299 HB3 GLU 36 1HB GLU 36 -1.949 0.480 7.678 300 HG2 GLU 36 2HG GLU 36 -4.290 -0.022 8.047 301 HG3 GLU 36 1HG GLU 36 -3.889 -1.691 8.454 302 H CYS 37 H CYS 37 -0.638 -2.856 6.459 303 HA CYS 37 HA CYS 37 -2.456 -5.110 6.677 304 HB2 CYS 37 2HB CYS 37 -1.508 -6.313 4.742 305 HB3 CYS 37 1HB CYS 37 -2.324 -4.835 4.243 306 HG CYS 37 HG CYS 37 -0.335 -3.800 2.996 307 H GLN 38 H GLN 38 -1.072 -7.237 6.744 308 HA GLN 38 HA GLN 38 1.409 -6.696 8.267 309 HB2 GLN 38 2HB GLN 38 -0.603 -8.925 8.633 310 HB3 GLN 38 1HB GLN 38 0.933 -8.829 9.482 311 HG2 GLN 38 2HG GLN 38 -1.262 -6.770 9.665 312 HG3 GLN 38 1HG GLN 38 -1.004 -8.075 10.819 313 HE21 GLN 38 1HE2 GLN 38 1.897 -7.884 10.713 314 HE22 GLN 38 2HE2 GLN 38 2.309 -6.455 11.581 315 H ILE 39 H ILE 39 3.211 -7.391 7.280 316 HA ILE 39 HA ILE 39 3.084 -9.777 5.536 317 HB ILE 39 HB ILE 39 4.932 -7.394 5.222 318 HG12 ILE 39 2HG1 ILE 39 2.593 -8.274 3.504 319 HG13 ILE 39 1HG1 ILE 39 2.591 -6.888 4.589 320 HG21 ILE 39 1HG2 ILE 39 4.597 -9.872 3.523 321 HG22 ILE 39 2HG2 ILE 39 5.995 -9.461 4.516 322 HG23 ILE 39 3HG2 ILE 39 5.596 -8.478 3.108 323 HD11 ILE 39 3HD1 ILE 39 4.366 -5.858 3.242 324 HD12 ILE 39 1HD1 ILE 39 2.905 -6.180 2.306 325 HD13 ILE 39 2HD1 ILE 39 4.308 -7.235 2.140 326 H SER 40 H SER 40 4.193 -11.455 6.380 327 HA SER 40 HA SER 40 6.282 -10.968 8.377 328 HB2 SER 40 2HB SER 40 4.619 -12.629 8.966 329 HB3 SER 40 1HB SER 40 4.923 -13.522 7.477 330 HG SER 40 HG SER 40 6.704 -14.346 8.306 331 H ALA 41 H ALA 41 8.191 -10.444 7.375 332 HA ALA 41 HA ALA 41 9.393 -12.546 5.687 333 HB1 ALA 41 3HB ALA 41 10.438 -10.924 4.255 334 HB2 ALA 41 1HB ALA 41 9.780 -9.598 5.214 335 HB3 ALA 41 2HB ALA 41 8.700 -10.627 4.277 336 H ILE 42 H ILE 42 11.724 -12.705 5.809 337 HA ILE 42 HA ILE 42 13.052 -11.077 7.866 338 HB ILE 42 HB ILE 42 13.232 -14.102 7.788 339 HG12 ILE 42 2HG1 ILE 42 12.096 -12.245 9.902 340 HG13 ILE 42 1HG1 ILE 42 11.161 -13.299 8.847 341 HG21 ILE 42 1HG2 ILE 42 14.724 -13.896 9.719 342 HG22 ILE 42 2HG2 ILE 42 14.646 -12.138 9.602 343 HG23 ILE 42 3HG2 ILE 42 15.396 -13.076 8.309 344 HD11 ILE 42 3HD1 ILE 42 13.126 -14.206 10.940 345 HD12 ILE 42 1HD1 ILE 42 12.190 -15.258 9.879 346 HD13 ILE 42 2HD1 ILE 42 11.368 -14.248 11.069 347 HA PRO 43 HA PRO 43 14.283 -9.674 7.808 348 HB2 PRO 43 2HB PRO 43 15.579 -7.680 6.561 349 HB3 PRO 43 1HB PRO 43 16.456 -8.910 7.483 350 HG2 PRO 43 2HG PRO 43 16.017 -8.724 4.517 351 HG3 PRO 43 1HG PRO 43 17.513 -9.078 5.401 352 HD2 PRO 43 2HD PRO 43 15.932 -11.014 4.293 353 HD3 PRO 43 1HD PRO 43 16.948 -11.286 5.722 354 HA PRO 44 HA PRO 44 10.764 -7.507 6.048 355 HB2 PRO 44 2HB PRO 44 12.365 -4.980 6.349 356 HB3 PRO 44 1HB PRO 44 10.679 -5.299 6.788 357 HG2 PRO 44 2HG PRO 44 12.562 -5.287 8.660 358 HG3 PRO 44 1HG PRO 44 11.268 -6.501 8.697 359 HD2 PRO 44 2HD PRO 44 14.138 -6.809 7.930 360 HD3 PRO 44 1HD PRO 44 13.044 -7.975 8.700 361 HA PRO 45 HA PRO 45 12.105 -7.119 1.812 362 HB2 PRO 45 2HB PRO 45 9.734 -7.293 0.616 363 HB3 PRO 45 1HB PRO 45 10.353 -8.642 1.577 364 HG2 PRO 45 2HG PRO 45 8.294 -6.592 2.296 365 HG3 PRO 45 1HG PRO 45 8.322 -8.326 2.658 366 HD2 PRO 45 2HD PRO 45 9.106 -6.277 4.401 367 HD3 PRO 45 1HD PRO 45 9.500 -7.994 4.577 368 H LYS 46 H LYS 46 11.731 -5.822 -0.167 369 HA LYS 46 HA LYS 46 11.292 -3.013 0.418 370 HB2 LYS 46 2HB LYS 46 13.135 -3.858 -1.089 371 HB3 LYS 46 1HB LYS 46 11.899 -4.303 -2.255 372 HG2 LYS 46 2HG LYS 46 12.845 -2.199 -2.900 373 HG3 LYS 46 1HG LYS 46 11.191 -1.926 -2.347 374 HD2 LYS 46 2HD LYS 46 12.034 -1.180 -0.171 375 HD3 LYS 46 1HD LYS 46 13.691 -1.482 -0.699 376 HE2 LYS 46 2HE LYS 46 13.381 0.198 -2.494 377 HE3 LYS 46 1HE LYS 46 11.765 0.533 -1.869 378 HZ1 LYS 46 3HZ LYS 46 12.770 1.222 0.224 379 HZ2 LYS 46 1HZ LYS 46 13.365 2.145 -1.064 380 HZ3 LYS 46 2HZ LYS 46 14.313 0.917 -0.391 381 H LEU 47 H LEU 47 9.403 -1.963 0.114 382 HA LEU 47 HA LEU 47 7.162 -3.467 -1.031 383 HB2 LEU 47 2HB LEU 47 7.134 -0.856 0.491 384 HB3 LEU 47 1HB LEU 47 5.743 -1.844 0.089 385 HG LEU 47 HG LEU 47 7.973 -2.651 1.973 386 HD11 LEU 47 1HD1 LEU 47 5.137 -1.784 2.524 387 HD12 LEU 47 2HD1 LEU 47 6.601 -0.872 2.895 388 HD13 LEU 47 3HD1 LEU 47 6.280 -2.396 3.721 389 HD21 LEU 47 3HD2 LEU 47 5.377 -4.039 1.287 390 HD22 LEU 47 1HD2 LEU 47 6.520 -4.540 2.533 391 HD23 LEU 47 2HD2 LEU 47 6.996 -4.578 0.836 392 H PHE 48 H PHE 48 6.112 -2.923 -2.859 393 HA PHE 48 HA PHE 48 6.547 -0.250 -4.042 394 HB2 PHE 48 2HB PHE 48 6.429 -2.891 -5.529 395 HB3 PHE 48 1HB PHE 48 6.451 -1.307 -6.296 396 HD1 PHE 48 HD1 PHE 48 8.476 0.150 -6.053 397 HD2 PHE 48 HD2 PHE 48 8.432 -3.926 -4.793 398 HE1 PHE 48 HE1 PHE 48 10.937 0.126 -6.039 399 HE2 PHE 48 HE2 PHE 48 10.892 -3.945 -4.780 400 HZ PHE 48 HZ PHE 48 12.147 -1.920 -5.402 401 H TRP 49 H TRP 49 4.710 0.834 -4.483 402 HA TRP 49 HA TRP 49 2.184 -0.691 -4.652 403 HB2 TRP 49 2HB TRP 49 2.688 2.112 -3.629 404 HB3 TRP 49 1HB TRP 49 1.080 1.471 -3.947 405 HD1 TRP 49 HD1 TRP 49 4.117 0.775 -1.641 406 HE1 TRP 49 HE1 TRP 49 3.232 -0.308 0.517 407 HE3 TRP 49 HE3 TRP 49 -0.818 0.297 -2.923 408 HZ2 TRP 49 HZ2 TRP 49 0.782 -1.236 1.544 409 HZ3 TRP 49 HZ3 TRP 49 -2.365 -0.700 -1.288 410 HH2 TRP 49 HH2 TRP 49 -1.578 -1.450 0.900 411 H LYS 50 H LYS 50 0.940 -0.481 -6.422 412 HA LYS 50 HA LYS 50 1.572 1.648 -8.372 413 HB2 LYS 50 2HB LYS 50 2.601 -0.463 -9.082 414 HB3 LYS 50 1HB LYS 50 1.052 -1.282 -8.952 415 HG2 LYS 50 2HG LYS 50 0.165 0.001 -10.792 416 HG3 LYS 50 1HG LYS 50 1.632 0.980 -10.864 417 HD2 LYS 50 2HD LYS 50 1.611 -0.747 -12.612 418 HD3 LYS 50 1HD LYS 50 2.941 -0.991 -11.479 419 HE2 LYS 50 2HE LYS 50 1.594 -2.702 -10.309 420 HE3 LYS 50 1HE LYS 50 0.306 -2.476 -11.493 421 HZ1 LYS 50 3HZ LYS 50 3.058 -3.430 -12.074 422 HZ2 LYS 50 1HZ LYS 50 1.844 -3.198 -13.226 423 HZ3 LYS 50 2HZ LYS 50 1.666 -4.388 -12.037 424 H ARG 51 H ARG 51 -0.186 2.732 -9.125 425 HA ARG 51 HA ARG 51 -2.851 1.811 -8.234 426 HB2 ARG 51 2HB ARG 51 -2.243 3.933 -7.274 427 HB3 ARG 51 1HB ARG 51 -1.743 4.559 -8.839 428 HG2 ARG 51 2HG ARG 51 -4.190 4.252 -9.551 429 HG3 ARG 51 1HG ARG 51 -4.528 4.062 -7.827 430 HD2 ARG 51 2HD ARG 51 -4.855 6.386 -8.608 431 HD3 ARG 51 1HD ARG 51 -3.615 6.258 -7.360 432 HE ARG 51 HE ARG 51 -2.074 7.002 -8.873 433 HH11 ARG 51 1HH1 ARG 51 -4.877 6.003 -10.615 434 HH12 ARG 51 2HH1 ARG 51 -4.235 6.506 -12.140 435 HH21 ARG 51 1HH2 ARG 51 -1.290 7.672 -10.848 436 HH22 ARG 51 2HH2 ARG 51 -2.259 7.440 -12.263 437 H ASN 52 H ASN 52 -4.018 0.892 -9.849 438 HA ASN 52 HA ASN 52 -4.997 0.524 -11.880 439 HB2 ASN 52 2HB ASN 52 -5.834 2.841 -11.270 440 HB3 ASN 52 1HB ASN 52 -4.585 3.494 -12.324 441 HD21 ASN 52 1HD2 ASN 52 -7.507 1.576 -12.213 442 HD22 ASN 52 2HD2 ASN 52 -7.925 1.794 -13.868 443 H ASN 53 H ASN 53 -2.217 0.109 -11.723 444 HA ASN 53 HA ASN 53 -0.538 -0.595 -13.062 445 HB2 ASN 53 2HB ASN 53 -2.349 -0.881 -14.821 446 HB3 ASN 53 1HB ASN 53 -1.860 0.690 -15.449 447 HD21 ASN 53 1HD2 ASN 53 0.057 0.869 -16.562 448 HD22 ASN 53 2HD2 ASN 53 1.004 -0.500 -17.023 449 H GLU 54 H GLU 54 -1.387 2.622 -12.625 450 HA GLU 54 HA GLU 54 1.140 3.683 -13.663 451 HB2 GLU 54 2HB GLU 54 -1.072 5.129 -12.173 452 HB3 GLU 54 1HB GLU 54 0.253 5.871 -13.058 453 HG2 GLU 54 2HG GLU 54 -0.640 5.015 -15.155 454 HG3 GLU 54 1HG GLU 54 -1.943 4.204 -14.286 455 H MET 55 H MET 55 2.925 3.775 -12.371 456 HA MET 55 HA MET 55 2.909 2.741 -9.755 457 HB2 MET 55 2HB MET 55 4.907 2.557 -11.047 458 HB3 MET 55 1HB MET 55 5.021 4.300 -11.249 459 HG2 MET 55 2HG MET 55 5.671 4.629 -9.015 460 HG3 MET 55 1HG MET 55 5.160 3.011 -8.540 461 HE1 MET 55 3HE MET 55 6.468 0.842 -8.983 462 HE2 MET 55 1HE MET 55 7.888 0.722 -10.023 463 HE3 MET 55 2HE MET 55 6.316 1.119 -10.718 464 H VAL 56 H VAL 56 3.074 3.614 -7.731 465 HA VAL 56 HA VAL 56 2.106 6.345 -7.409 466 HB VAL 56 HB VAL 56 2.694 4.296 -5.262 467 HG11 VAL 56 1HG1 VAL 56 0.957 6.767 -5.242 468 HG12 VAL 56 2HG1 VAL 56 2.506 6.569 -4.421 469 HG13 VAL 56 3HG1 VAL 56 1.113 5.612 -3.918 470 HG21 VAL 56 3HG2 VAL 56 1.108 3.357 -6.852 471 HG22 VAL 56 1HG2 VAL 56 0.095 4.797 -6.720 472 HG23 VAL 56 2HG2 VAL 56 0.303 3.736 -5.327 473 H GLN 57 H GLN 57 3.308 8.031 -6.694 474 HA GLN 57 HA GLN 57 6.142 7.546 -6.037 475 HB2 GLN 57 2HB GLN 57 4.773 10.022 -7.120 476 HB3 GLN 57 1HB GLN 57 6.483 9.914 -6.726 477 HG2 GLN 57 2HG GLN 57 6.801 8.216 -8.436 478 HG3 GLN 57 1HG GLN 57 5.077 8.227 -8.796 479 HE21 GLN 57 1HE2 GLN 57 8.069 9.955 -9.096 480 HE22 GLN 57 2HE2 GLN 57 7.530 11.094 -10.277 481 H PHE 58 H PHE 58 6.744 7.823 -3.969 482 HA PHE 58 HA PHE 58 4.862 9.088 -2.107 483 HB2 PHE 58 2HB PHE 58 7.356 7.524 -1.411 484 HB3 PHE 58 1HB PHE 58 5.975 7.872 -0.373 485 HD1 PHE 58 HD1 PHE 58 3.730 6.821 -0.977 486 HD2 PHE 58 HD2 PHE 58 7.423 5.572 -2.701 487 HE1 PHE 58 HE1 PHE 58 2.698 4.687 -1.650 488 HE2 PHE 58 HE2 PHE 58 6.398 3.439 -3.370 489 HZ PHE 58 HZ PHE 58 4.029 2.997 -2.845 490 H ASN 59 H ASN 59 7.035 10.437 -3.912 491 HA ASN 59 HA ASN 59 8.780 11.697 -1.969 492 HB2 ASN 59 2HB ASN 59 9.617 12.958 -3.997 493 HB3 ASN 59 1HB ASN 59 9.777 11.208 -4.078 494 HD21 ASN 59 1HD2 ASN 59 8.052 13.983 -5.300 495 HD22 ASN 59 2HD2 ASN 59 7.358 13.175 -6.663 496 H THR 60 H THR 60 5.783 12.182 -1.953 497 HA THR 60 HA THR 60 5.922 15.134 -1.944 498 HB THR 60 HB THR 60 4.448 14.739 -3.731 499 HG1 THR 60 HG1 THR 60 2.979 16.006 -2.894 500 HG21 THR 60 3HG2 THR 60 4.143 12.335 -3.460 501 HG22 THR 60 1HG2 THR 60 2.581 13.129 -3.656 502 HG23 THR 60 2HG2 THR 60 3.108 12.604 -2.058 503 H ASP 61 H ASP 61 4.314 16.153 -0.481 504 HA ASP 61 HA ASP 61 4.443 14.916 2.120 505 HB2 ASP 61 2HB ASP 61 4.864 17.336 1.763 506 HB3 ASP 61 1HB ASP 61 3.186 17.540 1.270 507 H ARG 62 H ARG 62 2.182 14.921 -0.419 508 HA ARG 62 HA ARG 62 -0.141 14.501 1.303 509 HB2 ARG 62 2HB ARG 62 0.032 14.404 -1.718 510 HB3 ARG 62 1HB ARG 62 -1.442 14.415 -0.755 511 HG2 ARG 62 2HG ARG 62 -0.638 16.661 0.152 512 HG3 ARG 62 1HG ARG 62 0.542 16.635 -1.160 513 HD2 ARG 62 2HD ARG 62 -2.465 16.559 -1.425 514 HD3 ARG 62 1HD ARG 62 -1.410 17.911 -1.820 515 HE ARG 62 HE ARG 62 -1.338 15.344 -3.280 516 HH11 ARG 62 1HH1 ARG 62 -1.236 18.791 -3.231 517 HH12 ARG 62 2HH1 ARG 62 -1.217 18.916 -4.957 518 HH21 ARG 62 1HH2 ARG 62 -1.303 15.529 -5.493 519 HH22 ARG 62 2HH2 ARG 62 -1.278 17.101 -6.216 520 H ILE 63 H ILE 63 2.114 12.616 -0.573 521 HA ILE 63 HA ILE 63 0.608 10.150 0.078 522 HB ILE 63 HB ILE 63 2.548 10.537 -2.219 523 HG12 ILE 63 2HG1 ILE 63 0.452 11.756 -2.616 524 HG13 ILE 63 1HG1 ILE 63 0.572 10.365 -3.687 525 HG21 ILE 63 1HG2 ILE 63 1.773 8.315 -2.954 526 HG22 ILE 63 2HG2 ILE 63 0.812 8.177 -1.479 527 HG23 ILE 63 3HG2 ILE 63 2.572 8.258 -1.382 528 HD11 ILE 63 3HD1 ILE 63 -1.672 10.613 -2.844 529 HD12 ILE 63 1HD1 ILE 63 -1.085 10.549 -1.182 530 HD13 ILE 63 2HD1 ILE 63 -0.952 9.129 -2.221 531 H SER 64 H SER 64 1.598 8.768 1.447 532 HA SER 64 HA SER 64 4.521 8.757 1.660 533 HB2 SER 64 2HB SER 64 2.701 9.263 4.028 534 HB3 SER 64 1HB SER 64 4.435 8.954 4.133 535 HG SER 64 HG SER 64 4.144 10.892 2.379 536 H LEU 65 H LEU 65 5.411 6.906 2.673 537 HA LEU 65 HA LEU 65 3.583 4.704 3.322 538 HB2 LEU 65 2HB LEU 65 4.023 4.429 0.949 539 HB3 LEU 65 1HB LEU 65 5.751 4.564 1.217 540 HG LEU 65 HG LEU 65 5.625 2.446 2.579 541 HD11 LEU 65 1HD1 LEU 65 2.839 2.300 1.428 542 HD12 LEU 65 2HD1 LEU 65 3.257 2.495 3.133 543 HD13 LEU 65 3HD1 LEU 65 3.672 1.004 2.291 544 HD21 LEU 65 3HD2 LEU 65 5.516 0.968 0.629 545 HD22 LEU 65 1HD2 LEU 65 6.418 2.440 0.272 546 HD23 LEU 65 2HD2 LEU 65 4.763 2.259 -0.309 547 H TYR 66 H TYR 66 4.237 3.733 5.146 548 HA TYR 66 HA TYR 66 7.111 3.357 5.596 549 HB2 TYR 66 2HB TYR 66 7.032 4.083 7.890 550 HB3 TYR 66 1HB TYR 66 6.417 5.378 6.876 551 HD1 TYR 66 HD2 TYR 66 3.936 5.821 6.821 552 HD2 TYR 66 HD1 TYR 66 5.699 3.115 9.596 553 HE1 TYR 66 HE2 TYR 66 1.925 5.959 8.228 554 HE2 TYR 66 HE1 TYR 66 3.695 3.250 11.011 555 HH TYR 66 HH TYR 66 1.834 4.795 11.423 556 H GLN 67 H GLN 67 7.616 1.667 7.154 557 HA GLN 67 HA GLN 67 5.466 -0.183 7.814 558 HB2 GLN 67 2HB GLN 67 6.571 -2.088 6.678 559 HB3 GLN 67 1HB GLN 67 5.984 -0.872 5.560 560 HG2 GLN 67 2HG GLN 67 8.022 -1.282 4.637 561 HG3 GLN 67 1HG GLN 67 8.456 0.026 5.732 562 HE21 GLN 67 1HE2 GLN 67 7.809 -3.302 6.694 563 HE22 GLN 67 2HE2 GLN 67 9.418 -3.651 7.190 564 H ASP 68 H ASP 68 5.857 -1.336 9.625 565 HA ASP 68 HA ASP 68 8.323 -0.728 11.061 566 HB2 ASP 68 2HB ASP 68 6.073 -0.459 12.124 567 HB3 ASP 68 1HB ASP 68 5.868 -2.206 12.044 568 H ASN 69 H ASN 69 9.478 -2.418 12.268 569 HA ASN 69 HA ASN 69 10.314 -4.563 10.667 570 HB2 ASN 69 2HB ASN 69 11.737 -3.589 12.401 571 HB3 ASN 69 1HB ASN 69 10.647 -4.174 13.654 572 HD21 ASN 69 1HD2 ASN 69 12.980 -5.119 11.228 573 HD22 ASN 69 2HD2 ASN 69 13.290 -6.694 11.870 574 H THR 70 H THR 70 7.734 -4.383 13.023 575 HA THR 70 HA THR 70 7.318 -7.171 13.386 576 HB THR 70 HB THR 70 6.284 -5.472 14.867 577 HG1 THR 70 HG1 THR 70 4.857 -7.542 13.643 578 HG21 THR 70 3HG2 THR 70 4.427 -4.948 12.534 579 HG22 THR 70 1HG2 THR 70 5.641 -3.828 13.153 580 HG23 THR 70 2HG2 THR 70 4.265 -4.282 14.159 581 H GLY 71 H GLY 71 7.084 -5.396 10.594 582 HA2 GLY 71 2HA GLY 71 6.552 -6.315 8.496 583 HA3 GLY 71 1HA GLY 71 5.524 -7.498 9.286 584 H ARG 72 H ARG 72 4.881 -4.449 10.529 585 HA ARG 72 HA ARG 72 2.309 -4.418 9.214 586 HB2 ARG 72 2HB ARG 72 2.617 -3.907 11.649 587 HB3 ARG 72 1HB ARG 72 3.419 -2.411 11.190 588 HG2 ARG 72 2HG ARG 72 1.366 -1.665 10.061 589 HG3 ARG 72 1HG ARG 72 0.568 -3.163 10.541 590 HD2 ARG 72 2HD ARG 72 1.069 -2.530 12.932 591 HD3 ARG 72 1HD ARG 72 1.577 -0.953 12.327 592 HE ARG 72 HE ARG 72 -0.998 -1.541 11.363 593 HH11 ARG 72 1HH1 ARG 72 0.666 -0.612 14.227 594 HH12 ARG 72 2HH1 ARG 72 -0.758 0.019 14.981 595 HH21 ARG 72 1HH2 ARG 72 -2.808 -0.694 12.305 596 HH22 ARG 72 2HH2 ARG 72 -2.710 -0.026 13.897 597 H VAL 73 H VAL 73 2.118 -3.586 7.244 598 HA VAL 73 HA VAL 73 3.748 -1.298 6.392 599 HB VAL 73 HB VAL 73 1.769 -2.973 4.821 600 HG11 VAL 73 1HG1 VAL 73 3.786 -0.932 3.878 601 HG12 VAL 73 2HG1 VAL 73 2.032 -0.758 3.856 602 HG13 VAL 73 3HG1 VAL 73 2.812 -1.963 2.830 603 HG21 VAL 73 3HG2 VAL 73 3.762 -4.016 3.808 604 HG22 VAL 73 1HG2 VAL 73 3.648 -4.328 5.540 605 HG23 VAL 73 2HG2 VAL 73 4.785 -3.124 4.935 606 H THR 74 H THR 74 2.900 0.749 6.046 607 HA THR 74 HA THR 74 -0.029 1.072 6.131 608 HB THR 74 HB THR 74 1.874 2.811 7.730 609 HG1 THR 74 HG1 THR 74 0.603 0.474 8.333 610 HG21 THR 74 3HG2 THR 74 -0.082 4.032 6.880 611 HG22 THR 74 1HG2 THR 74 -0.168 3.827 8.629 612 HG23 THR 74 2HG2 THR 74 -1.148 2.811 7.573 613 H LEU 75 H LEU 75 -0.666 2.109 4.372 614 HA LEU 75 HA LEU 75 1.099 4.077 3.069 615 HB2 LEU 75 2HB LEU 75 0.344 2.247 1.635 616 HB3 LEU 75 1HB LEU 75 -1.327 2.592 2.036 617 HG LEU 75 HG LEU 75 -1.103 4.807 0.908 618 HD11 LEU 75 1HD1 LEU 75 0.818 5.206 -0.554 619 HD12 LEU 75 2HD1 LEU 75 1.597 3.750 0.068 620 HD13 LEU 75 3HD1 LEU 75 1.298 5.120 1.140 621 HD21 LEU 75 3HD2 LEU 75 -0.447 2.401 -0.795 622 HD22 LEU 75 1HD2 LEU 75 -1.112 3.926 -1.381 623 HD23 LEU 75 2HD2 LEU 75 -2.056 2.915 -0.288 624 H LEU 76 H LEU 76 0.582 6.197 3.097 625 HA LEU 76 HA LEU 76 -2.093 6.986 4.101 626 HB2 LEU 76 2HB LEU 76 0.541 8.454 4.403 627 HB3 LEU 76 1HB LEU 76 -1.009 8.995 5.024 628 HG LEU 76 HG LEU 76 0.423 6.480 5.910 629 HD11 LEU 76 1HD1 LEU 76 0.879 7.686 7.986 630 HD12 LEU 76 2HD1 LEU 76 0.163 9.146 7.302 631 HD13 LEU 76 3HD1 LEU 76 1.638 8.477 6.604 632 HD21 LEU 76 3HD2 LEU 76 -1.236 6.433 7.708 633 HD22 LEU 76 1HD2 LEU 76 -2.006 6.318 6.126 634 HD23 LEU 76 2HD2 LEU 76 -2.040 7.841 7.014 635 H ILE 77 H ILE 77 -3.338 7.977 2.657 636 HA ILE 77 HA ILE 77 -2.069 9.500 0.456 637 HB ILE 77 HB ILE 77 -4.636 7.892 0.401 638 HG12 ILE 77 2HG1 ILE 77 -2.051 7.517 -1.138 639 HG13 ILE 77 1HG1 ILE 77 -2.520 6.580 0.277 640 HG21 ILE 77 1HG2 ILE 77 -4.935 9.896 -0.923 641 HG22 ILE 77 2HG2 ILE 77 -4.757 8.504 -1.991 642 HG23 ILE 77 3HG2 ILE 77 -3.407 9.613 -1.758 643 HD11 ILE 77 3HD1 ILE 77 -2.941 5.344 -1.754 644 HD12 ILE 77 1HD1 ILE 77 -3.958 6.648 -2.367 645 HD13 ILE 77 2HD1 ILE 77 -4.461 5.730 -0.948 646 H LYS 78 H LYS 78 -2.483 11.619 0.467 647 HA LYS 78 HA LYS 78 -4.907 12.632 1.834 648 HB2 LYS 78 2HB LYS 78 -2.348 14.141 1.252 649 HB3 LYS 78 1HB LYS 78 -3.702 14.704 2.220 650 HG2 LYS 78 2HG LYS 78 -3.212 13.106 3.949 651 HG3 LYS 78 1HG LYS 78 -1.979 12.335 2.945 652 HD2 LYS 78 2HD LYS 78 -0.719 14.495 2.942 653 HD3 LYS 78 1HD LYS 78 -1.904 15.140 4.080 654 HE2 LYS 78 2HE LYS 78 -1.277 13.503 5.734 655 HE3 LYS 78 1HE LYS 78 -0.219 12.685 4.582 656 HZ1 LYS 78 3HZ LYS 78 1.168 14.656 4.506 657 HZ2 LYS 78 1HZ LYS 78 1.031 14.089 6.094 658 HZ3 LYS 78 2HZ LYS 78 0.154 15.449 5.606 659 H ASP 79 H ASP 79 -6.071 14.372 0.877 660 HA ASP 79 HA ASP 79 -7.001 15.642 -0.761 661 HB2 ASP 79 2HB ASP 79 -4.611 16.588 -0.531 662 HB3 ASP 79 1HB ASP 79 -4.276 15.773 -2.055 663 H VAL 80 H VAL 80 -7.161 12.844 -1.166 664 HA VAL 80 HA VAL 80 -6.626 12.265 -3.958 665 HB VAL 80 HB VAL 80 -6.414 10.575 -2.108 666 HG11 VAL 80 1HG1 VAL 80 -9.425 10.542 -2.181 667 HG12 VAL 80 2HG1 VAL 80 -8.438 11.168 -0.857 668 HG13 VAL 80 3HG1 VAL 80 -8.385 9.452 -1.262 669 HG21 VAL 80 3HG2 VAL 80 -8.254 9.872 -4.394 670 HG22 VAL 80 1HG2 VAL 80 -7.420 8.697 -3.372 671 HG23 VAL 80 2HG2 VAL 80 -6.492 9.803 -4.383 672 H ASN 81 H ASN 81 -8.033 12.720 -5.627 673 HA ASN 81 HA ASN 81 -10.901 12.927 -4.922 674 HB2 ASN 81 2HB ASN 81 -11.270 14.707 -6.356 675 HB3 ASN 81 1HB ASN 81 -9.701 15.089 -5.678 676 HD21 ASN 81 1HD2 ASN 81 -8.341 13.127 -7.468 677 HD22 ASN 81 2HD2 ASN 81 -8.300 13.931 -8.985 678 H LYS 82 H LYS 82 -12.148 12.894 -7.323 679 HA LYS 82 HA LYS 82 -12.437 10.178 -7.742 680 HB2 LYS 82 2HB LYS 82 -13.115 12.392 -9.694 681 HB3 LYS 82 1HB LYS 82 -13.763 10.758 -9.739 682 HG2 LYS 82 2HG LYS 82 -14.151 12.672 -7.445 683 HG3 LYS 82 1HG LYS 82 -15.302 12.446 -8.757 684 HD2 LYS 82 2HD LYS 82 -14.362 10.153 -7.051 685 HD3 LYS 82 1HD LYS 82 -15.698 11.190 -6.553 686 HE2 LYS 82 2HE LYS 82 -16.705 9.353 -7.618 687 HE3 LYS 82 1HE LYS 82 -16.763 10.657 -8.795 688 HZ1 LYS 82 3HZ LYS 82 -14.795 9.680 -9.867 689 HZ2 LYS 82 1HZ LYS 82 -16.107 8.616 -9.843 690 HZ3 LYS 82 2HZ LYS 82 -14.829 8.403 -8.760 691 H LYS 83 H LYS 83 -10.070 12.256 -9.199 692 HA LYS 83 HA LYS 83 -9.430 10.601 -11.443 693 HB2 LYS 83 2HB LYS 83 -7.770 12.682 -10.008 694 HB3 LYS 83 1HB LYS 83 -7.358 11.962 -11.555 695 HG2 LYS 83 2HG LYS 83 -9.788 13.657 -10.985 696 HG3 LYS 83 1HG LYS 83 -8.332 14.176 -11.841 697 HD2 LYS 83 2HD LYS 83 -8.759 12.409 -13.534 698 HD3 LYS 83 1HD LYS 83 -10.270 12.028 -12.704 699 HE2 LYS 83 2HE LYS 83 -9.576 14.716 -13.900 700 HE3 LYS 83 1HE LYS 83 -10.582 13.495 -14.677 701 HZ1 LYS 83 3HZ LYS 83 -11.902 15.196 -13.583 702 HZ2 LYS 83 1HZ LYS 83 -11.187 14.834 -12.093 703 HZ3 LYS 83 2HZ LYS 83 -12.164 13.688 -12.867 704 H ASP 84 H ASP 84 -8.220 10.810 -8.129 705 HA ASP 84 HA ASP 84 -5.908 9.166 -8.684 706 HB2 ASP 84 2HB ASP 84 -6.906 10.145 -6.003 707 HB3 ASP 84 1HB ASP 84 -5.277 9.603 -6.405 708 H ALA 85 H ALA 85 -9.070 8.314 -8.201 709 HA ALA 85 HA ALA 85 -8.651 6.152 -6.321 710 HB1 ALA 85 3HB ALA 85 -10.986 5.590 -6.731 711 HB2 ALA 85 1HB ALA 85 -11.038 6.721 -8.085 712 HB3 ALA 85 2HB ALA 85 -10.811 7.322 -6.443 713 H GLY 86 H GLY 86 -8.562 3.957 -6.764 714 HA2 GLY 86 2HA GLY 86 -8.920 2.730 -9.249 715 HA3 GLY 86 1HA GLY 86 -7.234 3.213 -9.155 716 H TRP 87 H TRP 87 -7.252 0.716 -9.437 717 HA TRP 87 HA TRP 87 -7.290 -0.625 -6.844 718 HB2 TRP 87 2HB TRP 87 -6.840 -1.574 -9.669 719 HB3 TRP 87 1HB TRP 87 -6.462 -2.600 -8.287 720 HD1 TRP 87 HD1 TRP 87 -9.492 -0.886 -9.970 721 HE1 TRP 87 HE1 TRP 87 -11.619 -2.158 -9.272 722 HE3 TRP 87 HE3 TRP 87 -7.422 -4.117 -6.599 723 HZ2 TRP 87 HZ2 TRP 87 -12.323 -4.263 -7.519 724 HZ3 TRP 87 HZ3 TRP 87 -8.883 -5.730 -5.451 725 HH2 TRP 87 HH2 TRP 87 -11.283 -5.800 -5.901 726 H TYR 88 H TYR 88 -5.597 -0.550 -5.562 727 HA TYR 88 HA TYR 88 -2.944 0.118 -6.593 728 HB2 TYR 88 2HB TYR 88 -4.090 -0.013 -3.794 729 HB3 TYR 88 1HB TYR 88 -2.378 0.242 -4.109 730 HD1 TYR 88 HD1 TYR 88 -5.722 1.683 -5.005 731 HD2 TYR 88 HD2 TYR 88 -1.581 2.411 -4.307 732 HE1 TYR 88 HE1 TYR 88 -6.113 4.102 -5.224 733 HE2 TYR 88 HE2 TYR 88 -1.964 4.828 -4.521 734 HH TYR 88 HH TYR 88 -5.110 6.204 -4.595 735 H THR 89 H THR 89 -1.633 -1.480 -7.136 736 HA THR 89 HA THR 89 -1.931 -4.136 -5.935 737 HB THR 89 HB THR 89 -0.250 -3.263 -8.308 738 HG1 THR 89 HG1 THR 89 -2.097 -3.377 -9.328 739 HG21 THR 89 3HG2 THR 89 -0.928 -6.038 -7.311 740 HG22 THR 89 1HG2 THR 89 0.654 -5.265 -7.211 741 HG23 THR 89 2HG2 THR 89 -0.038 -5.662 -8.784 742 H VAL 90 H VAL 90 -0.692 -4.608 -4.232 743 HA VAL 90 HA VAL 90 1.804 -3.106 -3.813 744 HB VAL 90 HB VAL 90 0.253 -2.974 -1.955 745 HG11 VAL 90 1HG1 VAL 90 -1.010 -5.027 -2.328 746 HG12 VAL 90 2HG1 VAL 90 -0.422 -4.953 -0.666 747 HG13 VAL 90 3HG1 VAL 90 0.385 -5.991 -1.843 748 HG21 VAL 90 3HG2 VAL 90 2.601 -4.762 -1.282 749 HG22 VAL 90 1HG2 VAL 90 1.700 -3.771 -0.134 750 HG23 VAL 90 2HG2 VAL 90 2.640 -3.005 -1.414 751 H SER 91 H SER 91 3.737 -4.037 -3.965 752 HA SER 91 HA SER 91 3.914 -6.990 -4.024 753 HB2 SER 91 2HB SER 91 5.511 -5.044 -5.719 754 HB3 SER 91 1HB SER 91 5.681 -6.800 -5.727 755 HG SER 91 HG SER 91 3.285 -5.413 -6.364 756 H ALA 92 H ALA 92 5.168 -7.789 -2.473 757 HA ALA 92 HA ALA 92 7.274 -6.076 -1.298 758 HB1 ALA 92 3HB ALA 92 5.519 -6.794 0.270 759 HB2 ALA 92 1HB ALA 92 7.093 -7.462 0.703 760 HB3 ALA 92 2HB ALA 92 5.888 -8.481 -0.088 761 H VAL 93 H VAL 93 9.267 -6.554 -2.024 762 HA VAL 93 HA VAL 93 9.823 -9.333 -2.853 763 HB VAL 93 HB VAL 93 9.996 -7.786 -4.703 764 HG11 VAL 93 1HG1 VAL 93 12.083 -6.319 -3.088 765 HG12 VAL 93 2HG1 VAL 93 10.461 -5.734 -3.460 766 HG13 VAL 93 3HG1 VAL 93 11.631 -5.971 -4.758 767 HG21 VAL 93 3HG2 VAL 93 11.528 -9.680 -4.680 768 HG22 VAL 93 1HG2 VAL 93 12.720 -8.727 -3.794 769 HG23 VAL 93 2HG2 VAL 93 12.283 -8.282 -5.446 770 H ASN 94 H ASN 94 10.942 -10.451 -1.450 771 HA ASN 94 HA ASN 94 13.164 -9.186 0.031 772 HB2 ASN 94 2HB ASN 94 11.510 -10.068 1.547 773 HB3 ASN 94 1HB ASN 94 11.444 -11.595 0.678 774 HD21 ASN 94 1HD2 ASN 94 13.391 -9.612 2.806 775 HD22 ASN 94 2HD2 ASN 94 14.371 -10.901 3.390 776 H GLU 95 H GLU 95 15.158 -10.406 0.216 777 HA GLU 95 HA GLU 95 16.171 -11.518 -2.101 778 HB2 GLU 95 2HB GLU 95 18.001 -12.419 -0.648 779 HB3 GLU 95 1HB GLU 95 17.640 -10.718 -0.384 780 HG2 GLU 95 2HG GLU 95 16.299 -11.334 1.598 781 HG3 GLU 95 1HG GLU 95 16.745 -13.021 1.350 782 H ALA 96 H ALA 96 14.626 -13.188 0.590 783 HA ALA 96 HA ALA 96 15.118 -15.840 -0.323 784 HB1 ALA 96 3HB ALA 96 13.038 -14.802 1.603 785 HB2 ALA 96 1HB ALA 96 14.660 -15.359 2.016 786 HB3 ALA 96 2HB ALA 96 13.473 -16.499 1.376 787 H GLY 97 H GLY 97 12.578 -13.496 -0.986 788 HA2 GLY 97 2HA GLY 97 11.625 -14.739 -3.289 789 HA3 GLY 97 1HA GLY 97 10.624 -15.323 -1.969 790 H VAL 98 H VAL 98 9.335 -14.034 -3.911 791 HA VAL 98 HA VAL 98 8.741 -11.372 -2.768 792 HB VAL 98 HB VAL 98 9.917 -11.087 -4.894 793 HG11 VAL 98 1HG1 VAL 98 7.688 -12.733 -6.095 794 HG12 VAL 98 2HG1 VAL 98 9.383 -13.199 -5.959 795 HG13 VAL 98 3HG1 VAL 98 8.919 -11.861 -7.010 796 HG21 VAL 98 3HG2 VAL 98 8.232 -9.426 -4.340 797 HG22 VAL 98 1HG2 VAL 98 6.973 -10.411 -5.087 798 HG23 VAL 98 2HG2 VAL 98 8.246 -9.700 -6.081 799 H THR 99 H THR 99 6.571 -10.692 -2.794 800 HA THR 99 HA THR 99 4.522 -12.593 -3.707 801 HB THR 99 HB THR 99 4.812 -13.165 -1.360 802 HG1 THR 99 HG1 THR 99 2.710 -13.259 -1.088 803 HG21 THR 99 3HG2 THR 99 5.773 -11.035 -0.574 804 HG22 THR 99 1HG2 THR 99 4.421 -11.555 0.433 805 HG23 THR 99 2HG2 THR 99 4.196 -10.267 -0.750 806 H THR 100 H THR 100 2.540 -11.652 -4.272 807 HA THR 100 HA THR 100 2.432 -8.699 -4.181 808 HB THR 100 HB THR 100 1.853 -10.348 -6.660 809 HG1 THR 100 HG1 THR 100 3.922 -8.469 -6.641 810 HG21 THR 100 3HG2 THR 100 0.489 -8.321 -6.542 811 HG22 THR 100 1HG2 THR 100 1.722 -8.162 -7.794 812 HG23 THR 100 2HG2 THR 100 1.933 -7.350 -6.242 813 H CYS 101 H CYS 101 0.404 -7.790 -3.986 814 HA CYS 101 HA CYS 101 -1.975 -9.493 -4.246 815 HB2 CYS 101 2HB CYS 101 -1.330 -9.640 -1.870 816 HB3 CYS 101 1HB CYS 101 -1.371 -7.885 -1.747 817 HG CYS 101 HG CYS 101 -3.674 -9.640 -0.765 818 H ASN 102 H ASN 102 -4.037 -8.110 -3.948 819 HA ASN 102 HA ASN 102 -3.588 -5.517 -5.292 820 HB2 ASN 102 2HB ASN 102 -5.908 -7.440 -5.587 821 HB3 ASN 102 1HB ASN 102 -5.836 -5.843 -6.323 822 HD21 ASN 102 1HD2 ASN 102 -2.967 -6.063 -6.912 823 HD22 ASN 102 2HD2 ASN 102 -2.849 -7.157 -8.241 824 H THR 103 H THR 103 -4.929 -3.772 -4.795 825 HA THR 103 HA THR 103 -6.704 -3.969 -2.454 826 HB THR 103 HB THR 103 -4.584 -1.814 -2.754 827 HG1 THR 103 HG1 THR 103 -3.481 -3.582 -2.073 828 HG21 THR 103 3HG2 THR 103 -6.590 -1.031 -1.607 829 HG22 THR 103 1HG2 THR 103 -5.252 -1.184 -0.467 830 HG23 THR 103 2HG2 THR 103 -6.520 -2.409 -0.508 831 H ARG 104 H ARG 104 -8.381 -2.369 -2.451 832 HA ARG 104 HA ARG 104 -8.512 -0.747 -4.920 833 HB2 ARG 104 2HB ARG 104 -10.207 -2.479 -4.970 834 HB3 ARG 104 1HB ARG 104 -10.779 -2.016 -3.373 835 HG2 ARG 104 2HG ARG 104 -11.571 0.101 -4.211 836 HG3 ARG 104 1HG ARG 104 -10.875 -0.227 -5.798 837 HD2 ARG 104 2HD ARG 104 -12.416 -2.054 -6.147 838 HD3 ARG 104 1HD ARG 104 -13.040 -1.889 -4.506 839 HE ARG 104 HE ARG 104 -13.540 0.539 -5.484 840 HH11 ARG 104 1HH1 ARG 104 -14.184 -2.595 -6.745 841 HH12 ARG 104 2HH1 ARG 104 -15.507 -2.048 -7.712 842 HH21 ARG 104 1HH2 ARG 104 -15.239 1.225 -6.679 843 HH22 ARG 104 2HH2 ARG 104 -16.111 0.100 -7.672 844 H LEU 105 H LEU 105 -9.097 1.383 -4.796 845 HA LEU 105 HA LEU 105 -9.877 2.482 -2.174 846 HB2 LEU 105 2HB LEU 105 -7.465 2.909 -2.543 847 HB3 LEU 105 1HB LEU 105 -7.847 3.710 -4.055 848 HG LEU 105 HG LEU 105 -9.137 5.419 -2.767 849 HD11 LEU 105 1HD1 LEU 105 -7.927 4.061 -0.359 850 HD12 LEU 105 2HD1 LEU 105 -9.634 4.054 -0.802 851 HD13 LEU 105 3HD1 LEU 105 -8.848 5.567 -0.357 852 HD21 LEU 105 3HD2 LEU 105 -6.235 5.121 -1.979 853 HD22 LEU 105 1HD2 LEU 105 -7.181 6.610 -1.922 854 HD23 LEU 105 2HD2 LEU 105 -6.835 5.844 -3.471 855 H ASP 106 H ASP 106 -11.736 3.590 -2.337 856 HA ASP 106 HA ASP 106 -12.557 4.590 -4.994 857 HB2 ASP 106 2HB ASP 106 -14.230 3.751 -2.619 858 HB3 ASP 106 1HB ASP 106 -14.887 4.498 -4.071 859 H VAL 107 H VAL 107 -13.282 6.654 -5.252 860 HA VAL 107 HA VAL 107 -13.375 8.396 -2.870 861 HB VAL 107 HB VAL 107 -12.501 9.232 -5.651 862 HG11 VAL 107 1HG1 VAL 107 -12.601 10.779 -3.055 863 HG12 VAL 107 2HG1 VAL 107 -13.634 11.027 -4.463 864 HG13 VAL 107 3HG1 VAL 107 -11.907 11.365 -4.568 865 HG21 VAL 107 3HG2 VAL 107 -10.854 8.852 -3.144 866 HG22 VAL 107 1HG2 VAL 107 -10.266 9.521 -4.667 867 HG23 VAL 107 2HG2 VAL 107 -10.799 7.842 -4.588 868 H THR 108 H THR 108 -15.053 9.885 -2.775 869 HA THR 108 HA THR 108 -17.209 9.525 -4.766 870 HB THR 108 HB THR 108 -17.571 10.200 -1.828 871 HG1 THR 108 HG1 THR 108 -17.038 8.110 -1.719 872 HG21 THR 108 3HG2 THR 108 -19.936 9.659 -2.249 873 HG22 THR 108 1HG2 THR 108 -19.568 9.395 -3.954 874 HG23 THR 108 2HG2 THR 108 -19.392 11.004 -3.252 875 H ALA 109 H ALA 109 -18.409 11.344 -5.376 876 HA ALA 109 HA ALA 109 -16.933 13.802 -5.385 877 HB1 ALA 109 3HB ALA 109 -19.711 13.232 -6.422 878 HB2 ALA 109 1HB ALA 109 -18.209 13.041 -7.329 879 HB3 ALA 109 2HB ALA 109 -18.719 14.642 -6.801 880 H ARG 110 H ARG 110 -17.151 15.547 -4.144 881 HA ARG 110 HA ARG 110 -18.792 15.421 -1.792 882 HB2 ARG 110 2HB ARG 110 -16.950 17.572 -2.851 883 HB3 ARG 110 1HB ARG 110 -17.798 17.689 -1.314 884 HG2 ARG 110 2HG ARG 110 -16.630 15.659 -0.547 885 HG3 ARG 110 1HG ARG 110 -15.748 15.615 -2.075 886 HD2 ARG 110 2HD ARG 110 -14.409 16.640 -0.300 887 HD3 ARG 110 1HD ARG 110 -14.759 17.791 -1.589 888 HE ARG 110 HE ARG 110 -16.604 18.587 -0.032 889 HH11 ARG 110 1HH1 ARG 110 -13.640 17.242 1.112 890 HH12 ARG 110 2HH1 ARG 110 -13.708 18.100 2.611 891 HH21 ARG 110 1HH2 ARG 110 -16.676 19.672 1.893 892 HH22 ARG 110 2HH2 ARG 110 -15.410 19.450 3.051 893 HA PRO 111 HA PRO 111 -22.243 17.899 -3.280 894 HB2 PRO 111 2HB PRO 111 -23.227 18.687 -0.865 895 HB3 PRO 111 1HB PRO 111 -23.473 17.061 -1.513 896 HG2 PRO 111 2HG PRO 111 -21.469 18.013 0.505 897 HG3 PRO 111 1HG PRO 111 -22.458 16.539 0.519 898 HD2 PRO 111 2HD PRO 111 -19.846 16.544 -0.229 899 HD3 PRO 111 1HD PRO 111 -21.034 15.422 -0.924 900 H ASN 112 H ASN 112 -19.608 18.956 -1.368 901 HA ASN 112 HA ASN 112 -19.646 21.584 -2.522 902 HB2 ASN 112 2HB ASN 112 -19.664 22.816 -0.380 903 HB3 ASN 112 1HB ASN 112 -21.178 21.958 -0.649 904 HD21 ASN 112 1HD2 ASN 112 -20.015 22.891 1.837 905 HD22 ASN 112 2HD2 ASN 112 -19.830 21.500 2.844 906 H GLN 113 H GLN 113 -17.567 22.050 -2.983 907 HA GLN 113 HA GLN 113 -15.440 21.009 -1.210 908 HB2 GLN 113 2HB GLN 113 -15.260 22.013 -4.062 909 HB3 GLN 113 1HB GLN 113 -13.889 21.490 -3.093 910 HG2 GLN 113 2HG GLN 113 -14.967 19.245 -2.906 911 HG3 GLN 113 1HG GLN 113 -16.192 19.800 -4.047 912 HE21 GLN 113 1HE2 GLN 113 -15.630 18.270 -5.575 913 HE22 GLN 113 2HE2 GLN 113 -14.163 18.350 -6.481 914 H THR 114 H THR 114 -16.922 23.889 -2.438 915 HA THR 114 HA THR 114 -14.872 25.653 -1.359 916 HB THR 114 HB THR 114 -16.364 27.492 -2.147 917 HG1 THR 114 HG1 THR 114 -18.377 27.011 -2.562 918 HG21 THR 114 3HG2 THR 114 -16.067 27.088 -4.545 919 HG22 THR 114 1HG2 THR 114 -15.780 25.376 -4.228 920 HG23 THR 114 2HG2 THR 114 -14.638 26.587 -3.641 921 H LEU 115 H LEU 115 -14.921 25.401 0.864 922 HA LEU 115 HA LEU 115 -17.439 26.051 2.248 923 HB2 LEU 115 2HB LEU 115 -14.967 24.603 3.198 924 HB3 LEU 115 1HB LEU 115 -16.200 25.179 4.301 925 HG LEU 115 HG LEU 115 -17.864 23.732 3.092 926 HD11 LEU 115 1HD1 LEU 115 -17.025 21.914 1.692 927 HD12 LEU 115 2HD1 LEU 115 -15.401 22.598 1.764 928 HD13 LEU 115 3HD1 LEU 115 -16.698 23.487 0.967 929 HD21 LEU 115 3HD2 LEU 115 -16.836 23.047 5.206 930 HD22 LEU 115 1HD2 LEU 115 -15.504 22.303 4.321 931 HD23 LEU 115 2HD2 LEU 115 -17.139 21.664 4.155 932 HA PRO 116 HA PRO 116 -15.097 29.861 3.185 933 HB2 PRO 116 2HB PRO 116 -17.130 31.596 2.817 934 HB3 PRO 116 1HB PRO 116 -16.221 30.910 1.467 935 HG2 PRO 116 2HG PRO 116 -18.956 30.263 2.427 936 HG3 PRO 116 1HG PRO 116 -18.290 30.173 0.789 937 HD2 PRO 116 2HD PRO 116 -18.643 28.031 2.622 938 HD3 PRO 116 1HD PRO 116 -17.802 27.976 1.062 Start of MODEL 4 1 H1 MET 1 1H MET 1 41.274 -26.030 5.123 2 H2 MET 1 2H MET 1 40.064 -26.948 5.865 3 H3 MET 1 3H MET 1 39.696 -26.004 4.511 4 HA MET 1 HA MET 1 41.496 -28.363 4.572 5 HB2 MET 1 2HB MET 1 38.736 -27.992 3.380 6 HB3 MET 1 1HB MET 1 39.756 -29.400 3.112 7 HG2 MET 1 2HG MET 1 38.666 -28.487 5.769 8 HG3 MET 1 1HG MET 1 38.069 -29.838 4.804 9 HE1 MET 1 3HE MET 1 38.869 -30.110 7.867 10 HE2 MET 1 1HE MET 1 39.793 -31.613 7.862 11 HE3 MET 1 2HE MET 1 38.315 -31.485 6.908 12 H GLY 2 H GLY 2 40.014 -25.805 2.603 13 HA2 GLY 2 2HA GLY 2 42.294 -26.033 0.744 14 HA3 GLY 2 1HA GLY 2 40.653 -25.983 0.114 15 H HIS 3 H HIS 3 43.204 -24.136 0.252 16 HA HIS 3 HA HIS 3 42.543 -21.761 1.533 17 HB2 HIS 3 2HB HIS 3 44.091 -20.689 -0.210 18 HB3 HIS 3 1HB HIS 3 44.762 -21.965 0.799 19 HD1 HIS 3 HD1 HIS 3 43.472 -21.415 -2.725 20 HD2 HIS 3 HD2 HIS 3 45.809 -24.101 -0.578 21 HE1 HIS 3 HE1 HIS 3 44.482 -22.947 -4.435 22 HE2 HIS 3 HE2 HIS 3 45.968 -24.493 -3.130 23 H HIS 4 H HIS 4 40.307 -21.405 1.221 24 HA HIS 4 HA HIS 4 39.733 -19.691 -1.076 25 HB2 HIS 4 2HB HIS 4 37.949 -22.025 -0.304 26 HB3 HIS 4 1HB HIS 4 37.501 -20.753 -1.430 27 HD1 HIS 4 HD1 HIS 4 38.788 -20.727 -3.745 28 HD2 HIS 4 HD2 HIS 4 39.447 -24.070 -1.363 29 HE1 HIS 4 HE1 HIS 4 39.796 -22.449 -5.265 30 HE2 HIS 4 HE2 HIS 4 40.026 -24.507 -3.843 31 H HIS 5 H HIS 5 38.008 -18.188 -0.675 32 HA HIS 5 HA HIS 5 37.415 -17.668 2.112 33 HB2 HIS 5 2HB HIS 5 36.383 -16.331 -0.409 34 HB3 HIS 5 1HB HIS 5 36.100 -15.755 1.233 35 HD1 HIS 5 HD1 HIS 5 38.195 -14.818 2.527 36 HD2 HIS 5 HD2 HIS 5 38.847 -15.647 -1.491 37 HE1 HIS 5 HE1 HIS 5 40.344 -13.666 1.941 38 HE2 HIS 5 HE2 HIS 5 40.632 -14.054 -0.520 39 H HIS 6 H HIS 6 35.869 -18.788 3.176 40 HA HIS 6 HA HIS 6 33.630 -19.903 1.595 41 HB2 HIS 6 2HB HIS 6 35.205 -21.642 2.266 42 HB3 HIS 6 1HB HIS 6 35.088 -21.134 3.945 43 HD1 HIS 6 HD1 HIS 6 34.092 -23.198 4.951 44 HD2 HIS 6 HD2 HIS 6 31.970 -21.873 1.633 45 HE1 HIS 6 HE1 HIS 6 32.015 -24.605 4.874 46 HE2 HIS 6 HE2 HIS 6 30.821 -23.881 2.784 47 H HIS 7 H HIS 7 32.069 -18.383 2.059 48 HA HIS 7 HA HIS 7 31.341 -17.719 4.784 49 HB2 HIS 7 2HB HIS 7 30.977 -16.004 3.165 50 HB3 HIS 7 1HB HIS 7 30.121 -17.100 2.091 51 HD1 HIS 7 HD1 HIS 7 27.718 -16.580 2.044 52 HD2 HIS 7 HD2 HIS 7 29.343 -15.857 5.801 53 HE1 HIS 7 HE1 HIS 7 25.814 -15.760 3.454 54 HE2 HIS 7 HE2 HIS 7 26.774 -15.522 5.761 55 H HIS 8 H HIS 8 29.686 -18.576 5.988 56 HA HIS 8 HA HIS 8 28.606 -21.135 5.099 57 HB2 HIS 8 2HB HIS 8 28.380 -19.720 7.768 58 HB3 HIS 8 1HB HIS 8 27.825 -21.358 7.434 59 HD1 HIS 8 HD1 HIS 8 29.603 -23.209 7.309 60 HD2 HIS 8 HD2 HIS 8 31.194 -19.428 7.974 61 HE1 HIS 8 HE1 HIS 8 31.983 -23.591 7.994 62 HE2 HIS 8 HE2 HIS 8 32.860 -21.311 8.577 63 H SER 9 H SER 9 26.375 -21.689 5.149 64 HA SER 9 HA SER 9 24.579 -19.419 4.594 65 HB2 SER 9 2HB SER 9 24.824 -21.105 2.819 66 HB3 SER 9 1HB SER 9 24.285 -22.364 3.928 67 HG SER 9 HG SER 9 22.261 -21.407 3.997 68 H HIS 10 H HIS 10 25.258 -20.337 7.342 69 HA HIS 10 HA HIS 10 22.942 -21.750 8.348 70 HB2 HIS 10 2HB HIS 10 25.257 -22.019 9.277 71 HB3 HIS 10 1HB HIS 10 25.148 -20.380 9.909 72 HD1 HIS 10 HD1 HIS 10 23.903 -20.059 12.101 73 HD2 HIS 10 HD2 HIS 10 23.507 -23.897 10.559 74 HE1 HIS 10 HE1 HIS 10 22.829 -21.408 13.921 75 HE2 HIS 10 HE2 HIS 10 22.746 -23.753 13.025 76 H GLU 11 H GLU 11 22.819 -18.888 7.144 77 HA GLU 11 HA GLU 11 21.676 -17.416 9.395 78 HB2 GLU 11 2HB GLU 11 22.145 -16.570 6.524 79 HB3 GLU 11 1HB GLU 11 21.570 -15.521 7.814 80 HG2 GLU 11 2HG GLU 11 23.675 -15.873 9.030 81 HG3 GLU 11 1HG GLU 11 24.252 -16.896 7.718 82 H HIS 12 H HIS 12 19.553 -17.334 9.791 83 HA HIS 12 HA HIS 12 17.711 -18.863 8.226 84 HB2 HIS 12 2HB HIS 12 17.162 -16.978 10.535 85 HB3 HIS 12 1HB HIS 12 16.019 -18.140 9.870 86 HD1 HIS 12 HD1 HIS 12 18.443 -17.772 12.485 87 HD2 HIS 12 HD2 HIS 12 17.043 -20.927 10.181 88 HE1 HIS 12 HE1 HIS 12 19.056 -19.844 13.748 89 HE2 HIS 12 HE2 HIS 12 18.060 -21.726 12.419 90 H LYS 13 H LYS 13 16.713 -18.214 6.434 91 HA LYS 13 HA LYS 13 16.031 -15.356 6.101 92 HB2 LYS 13 2HB LYS 13 16.264 -17.484 3.956 93 HB3 LYS 13 1HB LYS 13 15.964 -15.771 3.695 94 HG2 LYS 13 2HG LYS 13 18.183 -15.234 4.553 95 HG3 LYS 13 1HG LYS 13 18.483 -16.945 4.870 96 HD2 LYS 13 2HD LYS 13 18.065 -17.343 2.397 97 HD3 LYS 13 1HD LYS 13 18.109 -15.589 2.200 98 HE2 LYS 13 2HE LYS 13 20.333 -17.318 3.286 99 HE3 LYS 13 1HE LYS 13 20.268 -16.595 1.682 100 HZ1 LYS 13 3HZ LYS 13 20.323 -14.410 2.697 101 HZ2 LYS 13 1HZ LYS 13 21.662 -15.320 3.183 102 HZ3 LYS 13 2HZ LYS 13 20.363 -15.092 4.239 103 H ARG 14 H ARG 14 13.931 -14.801 5.396 104 HA ARG 14 HA ARG 14 11.921 -16.951 5.311 105 HB2 ARG 14 2HB ARG 14 12.017 -15.865 7.590 106 HB3 ARG 14 1HB ARG 14 11.533 -14.359 6.826 107 HG2 ARG 14 2HG ARG 14 9.602 -15.364 7.807 108 HG3 ARG 14 1HG ARG 14 9.450 -15.487 6.054 109 HD2 ARG 14 2HD ARG 14 10.169 -17.802 6.123 110 HD3 ARG 14 1HD ARG 14 10.451 -17.690 7.860 111 HE ARG 14 HE ARG 14 7.760 -17.054 7.132 112 HH11 ARG 14 1HH1 ARG 14 9.929 -19.641 7.789 113 HH12 ARG 14 2HH1 ARG 14 8.673 -20.724 8.265 114 HH21 ARG 14 1HH2 ARG 14 6.148 -18.444 7.716 115 HH22 ARG 14 2HH2 ARG 14 6.543 -20.052 8.227 116 H ALA 15 H ALA 15 10.865 -16.816 3.428 117 HA ALA 15 HA ALA 15 10.892 -14.536 1.736 118 HB1 ALA 15 3HB ALA 15 9.037 -16.922 1.628 119 HB2 ALA 15 1HB ALA 15 10.644 -16.849 0.908 120 HB3 ALA 15 2HB ALA 15 9.365 -15.789 0.318 121 HA PRO 16 HA PRO 16 7.666 -12.076 3.491 122 HB2 PRO 16 2HB PRO 16 6.811 -10.716 1.280 123 HB3 PRO 16 1HB PRO 16 8.333 -10.371 2.110 124 HG2 PRO 16 2HG PRO 16 7.851 -12.020 -0.351 125 HG3 PRO 16 1HG PRO 16 9.110 -10.806 -0.047 126 HD2 PRO 16 2HD PRO 16 9.614 -13.444 0.152 127 HD3 PRO 16 1HD PRO 16 10.386 -12.264 1.233 128 H MET 17 H MET 17 5.596 -12.372 4.021 129 HA MET 17 HA MET 17 3.729 -13.598 2.103 130 HB2 MET 17 2HB MET 17 4.411 -15.468 3.407 131 HB3 MET 17 1HB MET 17 4.354 -14.548 4.902 132 HG2 MET 17 2HG MET 17 2.512 -16.142 4.724 133 HG3 MET 17 1HG MET 17 1.936 -14.476 4.806 134 HE1 MET 17 3HE MET 17 -0.785 -16.042 2.538 135 HE2 MET 17 1HE MET 17 -0.437 -15.092 3.983 136 HE3 MET 17 2HE MET 17 0.002 -16.798 3.925 137 H PHE 18 H PHE 18 1.880 -12.449 1.968 138 HA PHE 18 HA PHE 18 1.231 -10.385 3.862 139 HB2 PHE 18 2HB PHE 18 -0.199 -11.505 1.451 140 HB3 PHE 18 1HB PHE 18 -0.964 -10.319 2.501 141 HD1 PHE 18 HD1 PHE 18 -0.144 -8.033 2.602 142 HD2 PHE 18 HD2 PHE 18 1.607 -10.881 -0.032 143 HE1 PHE 18 HE1 PHE 18 0.928 -6.207 1.346 144 HE2 PHE 18 HE2 PHE 18 2.681 -9.063 -1.291 145 HZ PHE 18 HZ PHE 18 2.343 -6.723 -0.604 146 H ILE 19 H ILE 19 0.635 -11.038 5.864 147 HA ILE 19 HA ILE 19 -0.974 -13.358 6.370 148 HB ILE 19 HB ILE 19 -0.521 -11.030 8.254 149 HG12 ILE 19 2HG1 ILE 19 1.220 -13.483 7.851 150 HG13 ILE 19 1HG1 ILE 19 1.640 -11.841 7.363 151 HG21 ILE 19 1HG2 ILE 19 -1.120 -13.952 8.763 152 HG22 ILE 19 2HG2 ILE 19 -2.249 -12.609 8.954 153 HG23 ILE 19 3HG2 ILE 19 -0.838 -12.729 10.003 154 HD11 ILE 19 3HD1 ILE 19 1.557 -11.159 9.736 155 HD12 ILE 19 1HD1 ILE 19 2.763 -12.406 9.414 156 HD13 ILE 19 2HD1 ILE 19 1.234 -12.838 10.178 157 H TYR 20 H TYR 20 -1.562 -9.886 6.150 158 HA TYR 20 HA TYR 20 -4.447 -10.409 5.856 159 HB2 TYR 20 2HB TYR 20 -3.288 -8.082 7.420 160 HB3 TYR 20 1HB TYR 20 -4.995 -8.414 7.155 161 HD1 TYR 20 HD1 TYR 20 -5.909 -10.651 8.096 162 HD2 TYR 20 HD2 TYR 20 -2.228 -8.905 9.330 163 HE1 TYR 20 HE1 TYR 20 -5.977 -11.978 10.164 164 HE2 TYR 20 HE2 TYR 20 -2.286 -10.228 11.397 165 HH TYR 20 HH TYR 20 -4.396 -12.849 11.836 166 H LYS 21 H LYS 21 -5.469 -9.154 4.297 167 HA LYS 21 HA LYS 21 -3.780 -7.339 2.722 168 HB2 LYS 21 2HB LYS 21 -5.526 -7.411 1.032 169 HB3 LYS 21 1HB LYS 21 -5.116 -9.053 1.511 170 HG2 LYS 21 2HG LYS 21 -7.115 -9.249 2.811 171 HG3 LYS 21 1HG LYS 21 -7.478 -7.538 2.608 172 HD2 LYS 21 2HD LYS 21 -8.909 -8.729 1.126 173 HD3 LYS 21 1HD LYS 21 -7.673 -7.959 0.136 174 HE2 LYS 21 2HE LYS 21 -7.516 -10.836 1.038 175 HE3 LYS 21 1HE LYS 21 -8.264 -10.340 -0.477 176 HZ1 LYS 21 3HZ LYS 21 -6.019 -11.014 -0.873 177 HZ2 LYS 21 1HZ LYS 21 -5.426 -9.953 0.301 178 HZ3 LYS 21 2HZ LYS 21 -6.120 -9.347 -1.117 179 HA PRO 22 HA PRO 22 -5.805 -3.771 4.490 180 HB2 PRO 22 2HB PRO 22 -5.453 -2.154 2.147 181 HB3 PRO 22 1HB PRO 22 -4.504 -2.138 3.632 182 HG2 PRO 22 2HG PRO 22 -3.658 -3.031 1.115 183 HG3 PRO 22 1HG PRO 22 -2.818 -3.284 2.653 184 HD2 PRO 22 2HD PRO 22 -4.416 -5.166 1.039 185 HD3 PRO 22 1HD PRO 22 -3.172 -5.497 2.258 186 H GLN 23 H GLN 23 -7.880 -2.994 4.532 187 HA GLN 23 HA GLN 23 -9.658 -4.153 2.547 188 HB2 GLN 23 2HB GLN 23 -11.474 -3.655 4.132 189 HB3 GLN 23 1HB GLN 23 -10.195 -4.608 4.867 190 HG2 GLN 23 2HG GLN 23 -10.172 -1.636 5.181 191 HG3 GLN 23 1HG GLN 23 -11.285 -2.600 6.144 192 HE21 GLN 23 1HE2 GLN 23 -10.253 -2.015 8.057 193 HE22 GLN 23 2HE2 GLN 23 -8.708 -2.644 8.502 194 H SER 24 H SER 24 -11.006 -3.077 1.232 195 HA SER 24 HA SER 24 -10.215 -0.484 0.399 196 HB2 SER 24 2HB SER 24 -11.882 -0.692 -1.329 197 HB3 SER 24 1HB SER 24 -11.120 -2.266 -1.114 198 HG SER 24 HG SER 24 -12.924 -3.006 -0.084 199 H LYS 25 H LYS 25 -11.326 1.468 0.374 200 HA LYS 25 HA LYS 25 -13.814 1.744 1.876 201 HB2 LYS 25 2HB LYS 25 -11.204 3.034 2.674 202 HB3 LYS 25 1HB LYS 25 -12.746 3.763 3.098 203 HG2 LYS 25 2HG LYS 25 -13.375 1.770 4.348 204 HG3 LYS 25 1HG LYS 25 -11.872 0.977 3.874 205 HD2 LYS 25 2HD LYS 25 -11.898 3.586 5.390 206 HD3 LYS 25 1HD LYS 25 -11.969 2.025 6.211 207 HE2 LYS 25 2HE LYS 25 -9.788 2.861 4.292 208 HE3 LYS 25 1HE LYS 25 -9.672 2.966 6.048 209 HZ1 LYS 25 3HZ LYS 25 -10.084 0.522 6.101 210 HZ2 LYS 25 1HZ LYS 25 -8.621 0.966 5.376 211 HZ3 LYS 25 2HZ LYS 25 -9.933 0.498 4.415 212 H LYS 26 H LYS 26 -14.864 3.815 1.549 213 HA LYS 26 HA LYS 26 -14.005 5.150 -0.944 214 HB2 LYS 26 2HB LYS 26 -16.434 5.541 -1.383 215 HB3 LYS 26 1HB LYS 26 -15.971 3.845 -1.393 216 HG2 LYS 26 2HG LYS 26 -16.856 3.590 0.882 217 HG3 LYS 26 1HG LYS 26 -17.333 5.288 0.880 218 HD2 LYS 26 2HD LYS 26 -18.862 4.877 -0.976 219 HD3 LYS 26 1HD LYS 26 -18.354 3.187 -1.041 220 HE2 LYS 26 2HE LYS 26 -19.686 4.516 1.324 221 HE3 LYS 26 1HE LYS 26 -20.503 3.495 0.141 222 HZ1 LYS 26 3HZ LYS 26 -19.886 2.313 2.189 223 HZ2 LYS 26 1HZ LYS 26 -18.251 2.599 1.862 224 HZ3 LYS 26 2HZ LYS 26 -19.170 1.634 0.814 225 H VAL 27 H VAL 27 -13.616 7.266 -0.813 226 HA VAL 27 HA VAL 27 -14.792 8.816 1.420 227 HB VAL 27 HB VAL 27 -12.669 10.109 1.566 228 HG11 VAL 27 1HG1 VAL 27 -11.381 8.399 2.771 229 HG12 VAL 27 2HG1 VAL 27 -12.378 7.137 2.048 230 HG13 VAL 27 3HG1 VAL 27 -13.100 8.306 3.153 231 HG21 VAL 27 3HG2 VAL 27 -10.624 9.168 0.551 232 HG22 VAL 27 1HG2 VAL 27 -11.790 9.692 -0.665 233 HG23 VAL 27 2HG2 VAL 27 -11.607 7.976 -0.300 234 H LEU 28 H LEU 28 -14.325 11.291 1.006 235 HA LEU 28 HA LEU 28 -15.283 11.899 -1.704 236 HB2 LEU 28 2HB LEU 28 -15.271 13.547 0.833 237 HB3 LEU 28 1HB LEU 28 -15.837 14.138 -0.718 238 HG LEU 28 HG LEU 28 -17.058 11.800 0.768 239 HD11 LEU 28 1HD1 LEU 28 -18.022 14.653 0.531 240 HD12 LEU 28 2HD1 LEU 28 -17.396 13.886 1.992 241 HD13 LEU 28 3HD1 LEU 28 -18.903 13.319 1.275 242 HD21 LEU 28 3HD2 LEU 28 -17.358 11.691 -1.660 243 HD22 LEU 28 1HD2 LEU 28 -18.010 13.331 -1.659 244 HD23 LEU 28 2HD2 LEU 28 -18.882 12.033 -0.843 245 H GLU 29 H GLU 29 -14.459 13.921 -2.732 246 HA GLU 29 HA GLU 29 -11.626 13.860 -2.910 247 HB2 GLU 29 2HB GLU 29 -13.576 15.911 -3.985 248 HB3 GLU 29 1HB GLU 29 -11.876 15.806 -4.429 249 HG2 GLU 29 2HG GLU 29 -12.333 13.476 -5.255 250 HG3 GLU 29 1HG GLU 29 -14.047 13.794 -4.994 251 H GLY 30 H GLY 30 -10.250 14.647 -1.463 252 HA2 GLY 30 2HA GLY 30 -9.311 16.724 -0.513 253 HA3 GLY 30 1HA GLY 30 -10.947 17.162 -0.050 254 H ASP 31 H ASP 31 -11.008 14.015 0.606 255 HA ASP 31 HA ASP 31 -10.219 14.398 3.400 256 HB2 ASP 31 2HB ASP 31 -11.750 12.179 2.022 257 HB3 ASP 31 1HB ASP 31 -11.365 12.186 3.742 258 H SER 32 H SER 32 -9.479 12.081 4.378 259 HA SER 32 HA SER 32 -7.150 11.178 2.794 260 HB2 SER 32 2HB SER 32 -5.921 10.912 4.937 261 HB3 SER 32 1HB SER 32 -6.377 12.587 4.634 262 HG SER 32 HG SER 32 -7.167 10.871 6.640 263 H VAL 33 H VAL 33 -6.392 9.001 3.262 264 HA VAL 33 HA VAL 33 -8.317 7.233 4.599 265 HB VAL 33 HB VAL 33 -8.906 7.255 2.190 266 HG11 VAL 33 1HG1 VAL 33 -6.729 7.726 1.229 267 HG12 VAL 33 2HG1 VAL 33 -7.367 6.227 0.553 268 HG13 VAL 33 3HG1 VAL 33 -6.113 6.172 1.791 269 HG21 VAL 33 3HG2 VAL 33 -8.887 4.803 1.851 270 HG22 VAL 33 1HG2 VAL 33 -9.380 5.253 3.484 271 HG23 VAL 33 2HG2 VAL 33 -7.752 4.645 3.192 272 H LYS 34 H LYS 34 -7.447 5.280 5.357 273 HA LYS 34 HA LYS 34 -4.503 5.076 5.289 274 HB2 LYS 34 2HB LYS 34 -4.717 3.985 7.547 275 HB3 LYS 34 1HB LYS 34 -5.142 5.691 7.507 276 HG2 LYS 34 2HG LYS 34 -7.475 5.203 7.617 277 HG3 LYS 34 1HG LYS 34 -7.190 3.482 7.354 278 HD2 LYS 34 2HD LYS 34 -6.238 5.038 9.769 279 HD3 LYS 34 1HD LYS 34 -7.692 4.038 9.722 280 HE2 LYS 34 2HE LYS 34 -6.319 2.073 9.198 281 HE3 LYS 34 1HE LYS 34 -4.867 3.070 9.255 282 HZ1 LYS 34 3HZ LYS 34 -5.305 3.516 11.583 283 HZ2 LYS 34 1HZ LYS 34 -5.200 1.850 11.310 284 HZ3 LYS 34 2HZ LYS 34 -6.711 2.580 11.530 285 H LEU 35 H LEU 35 -3.660 3.232 4.526 286 HA LEU 35 HA LEU 35 -5.297 0.766 4.561 287 HB2 LEU 35 2HB LEU 35 -3.422 1.679 2.363 288 HB3 LEU 35 1HB LEU 35 -4.229 0.122 2.419 289 HG LEU 35 HG LEU 35 -5.642 2.792 2.212 290 HD11 LEU 35 1HD1 LEU 35 -6.134 2.135 -0.095 291 HD12 LEU 35 2HD1 LEU 35 -5.140 0.691 0.099 292 HD13 LEU 35 3HD1 LEU 35 -4.398 2.290 0.174 293 HD21 LEU 35 3HD2 LEU 35 -6.712 -0.029 2.020 294 HD22 LEU 35 1HD2 LEU 35 -7.640 1.449 1.754 295 HD23 LEU 35 2HD2 LEU 35 -6.985 1.096 3.351 296 H GLU 36 H GLU 36 -4.343 -0.638 5.956 297 HA GLU 36 HA GLU 36 -1.403 -0.847 5.912 298 HB2 GLU 36 2HB GLU 36 -1.346 -1.096 8.343 299 HB3 GLU 36 1HB GLU 36 -2.017 0.460 7.880 300 HG2 GLU 36 2HG GLU 36 -4.288 -0.436 8.282 301 HG3 GLU 36 1HG GLU 36 -3.564 -1.948 8.830 302 H CYS 37 H CYS 37 -0.515 -2.873 6.451 303 HA CYS 37 HA CYS 37 -2.263 -5.159 6.871 304 HB2 CYS 37 2HB CYS 37 -1.492 -6.349 4.853 305 HB3 CYS 37 1HB CYS 37 -2.373 -4.882 4.439 306 HG CYS 37 HG CYS 37 0.396 -5.789 3.217 307 H GLN 38 H GLN 38 -0.979 -7.222 7.072 308 HA GLN 38 HA GLN 38 1.658 -6.654 8.273 309 HB2 GLN 38 2HB GLN 38 -0.300 -8.891 8.832 310 HB3 GLN 38 1HB GLN 38 1.309 -8.790 9.535 311 HG2 GLN 38 2HG GLN 38 -0.885 -6.759 9.914 312 HG3 GLN 38 1HG GLN 38 -0.454 -8.027 11.058 313 HE21 GLN 38 1HE2 GLN 38 2.426 -7.732 10.582 314 HE22 GLN 38 2HE2 GLN 38 2.878 -6.267 11.371 315 H ILE 39 H ILE 39 3.362 -7.282 7.115 316 HA ILE 39 HA ILE 39 3.180 -9.763 5.506 317 HB ILE 39 HB ILE 39 5.140 -7.468 5.185 318 HG12 ILE 39 2HG1 ILE 39 2.807 -8.298 3.431 319 HG13 ILE 39 1HG1 ILE 39 2.861 -6.864 4.453 320 HG21 ILE 39 1HG2 ILE 39 4.759 -9.957 3.511 321 HG22 ILE 39 2HG2 ILE 39 6.120 -9.623 4.581 322 HG23 ILE 39 3HG2 ILE 39 5.864 -8.630 3.146 323 HD11 ILE 39 3HD1 ILE 39 4.594 -7.425 2.059 324 HD12 ILE 39 1HD1 ILE 39 4.747 -6.021 3.116 325 HD13 ILE 39 2HD1 ILE 39 3.279 -6.255 2.169 326 H SER 40 H SER 40 4.305 -11.481 6.314 327 HA SER 40 HA SER 40 6.362 -10.967 8.350 328 HB2 SER 40 2HB SER 40 4.649 -12.660 8.882 329 HB3 SER 40 1HB SER 40 5.134 -13.599 7.469 330 HG SER 40 HG SER 40 6.432 -13.242 9.924 331 H ALA 41 H ALA 41 8.233 -10.427 7.368 332 HA ALA 41 HA ALA 41 9.462 -12.415 5.573 333 HB1 ALA 41 3HB ALA 41 10.415 -10.654 4.191 334 HB2 ALA 41 1HB ALA 41 9.614 -9.429 5.174 335 HB3 ALA 41 2HB ALA 41 8.654 -10.543 4.203 336 H ILE 42 H ILE 42 11.692 -12.688 5.792 337 HA ILE 42 HA ILE 42 13.148 -10.913 7.633 338 HB ILE 42 HB ILE 42 13.256 -13.940 7.792 339 HG12 ILE 42 2HG1 ILE 42 12.313 -11.887 9.818 340 HG13 ILE 42 1HG1 ILE 42 11.280 -12.983 8.908 341 HG21 ILE 42 1HG2 ILE 42 14.882 -13.631 9.598 342 HG22 ILE 42 2HG2 ILE 42 14.843 -11.887 9.345 343 HG23 ILE 42 3HG2 ILE 42 15.476 -12.946 8.084 344 HD11 ILE 42 3HD1 ILE 42 11.587 -13.780 11.165 345 HD12 ILE 42 1HD1 ILE 42 13.339 -13.764 10.959 346 HD13 ILE 42 2HD1 ILE 42 12.353 -14.888 10.024 347 HA PRO 43 HA PRO 43 14.511 -9.610 7.502 348 HB2 PRO 43 2HB PRO 43 15.863 -7.756 6.112 349 HB3 PRO 43 1HB PRO 43 16.708 -9.014 7.025 350 HG2 PRO 43 2HG PRO 43 16.094 -8.904 4.084 351 HG3 PRO 43 1HG PRO 43 17.624 -9.310 4.887 352 HD2 PRO 43 2HD PRO 43 15.884 -11.201 3.965 353 HD3 PRO 43 1HD PRO 43 16.951 -11.466 5.358 354 HA PRO 44 HA PRO 44 11.035 -7.309 5.800 355 HB2 PRO 44 2HB PRO 44 12.719 -4.850 6.166 356 HB3 PRO 44 1HB PRO 44 11.036 -5.136 6.632 357 HG2 PRO 44 2HG PRO 44 12.958 -5.238 8.465 358 HG3 PRO 44 1HG PRO 44 11.635 -6.417 8.490 359 HD2 PRO 44 2HD PRO 44 14.473 -6.773 7.631 360 HD3 PRO 44 1HD PRO 44 13.378 -7.927 8.421 361 HA PRO 45 HA PRO 45 12.453 -6.878 1.587 362 HB2 PRO 45 2HB PRO 45 10.103 -7.192 0.379 363 HB3 PRO 45 1HB PRO 45 10.800 -8.499 1.346 364 HG2 PRO 45 2HG PRO 45 8.598 -6.598 2.035 365 HG3 PRO 45 1HG PRO 45 8.759 -8.320 2.426 366 HD2 PRO 45 2HD PRO 45 9.392 -6.163 4.122 367 HD3 PRO 45 1HD PRO 45 9.861 -7.855 4.361 368 H LYS 46 H LYS 46 12.022 -5.612 -0.402 369 HA LYS 46 HA LYS 46 11.427 -2.832 0.142 370 HB2 LYS 46 2HB LYS 46 13.251 -3.530 -1.406 371 HB3 LYS 46 1HB LYS 46 12.040 -4.190 -2.498 372 HG2 LYS 46 2HG LYS 46 12.796 -2.013 -3.265 373 HG3 LYS 46 1HG LYS 46 11.091 -1.951 -2.810 374 HD2 LYS 46 2HD LYS 46 11.702 -0.946 -0.655 375 HD3 LYS 46 1HD LYS 46 13.409 -1.031 -1.092 376 HE2 LYS 46 2HE LYS 46 12.985 0.478 -2.986 377 HE3 LYS 46 1HE LYS 46 11.286 0.573 -2.523 378 HZ1 LYS 46 3HZ LYS 46 12.642 2.465 -1.745 379 HZ2 LYS 46 1HZ LYS 46 13.539 1.407 -0.779 380 HZ3 LYS 46 2HZ LYS 46 11.891 1.635 -0.481 381 H LEU 47 H LEU 47 9.621 -1.695 -0.484 382 HA LEU 47 HA LEU 47 7.321 -3.330 -1.318 383 HB2 LEU 47 2HB LEU 47 7.318 -0.623 0.022 384 HB3 LEU 47 1HB LEU 47 5.927 -1.652 -0.256 385 HG LEU 47 HG LEU 47 8.239 -2.342 1.564 386 HD11 LEU 47 1HD1 LEU 47 6.678 -1.916 3.398 387 HD12 LEU 47 2HD1 LEU 47 5.461 -1.373 2.241 388 HD13 LEU 47 3HD1 LEU 47 6.959 -0.462 2.439 389 HD21 LEU 47 3HD2 LEU 47 7.142 -4.308 0.605 390 HD22 LEU 47 1HD2 LEU 47 5.577 -3.710 1.156 391 HD23 LEU 47 2HD2 LEU 47 6.811 -4.169 2.330 392 H PHE 48 H PHE 48 6.157 -2.885 -3.107 393 HA PHE 48 HA PHE 48 6.597 -0.328 -4.525 394 HB2 PHE 48 2HB PHE 48 6.370 -3.074 -5.803 395 HB3 PHE 48 1HB PHE 48 6.409 -1.550 -6.684 396 HD1 PHE 48 HD1 PHE 48 8.477 -0.197 -6.736 397 HD2 PHE 48 HD2 PHE 48 8.373 -4.066 -4.944 398 HE1 PHE 48 HE1 PHE 48 10.934 -0.299 -6.812 399 HE2 PHE 48 HE2 PHE 48 10.827 -4.167 -5.018 400 HZ PHE 48 HZ PHE 48 12.113 -2.287 -5.952 401 H TRP 49 H TRP 49 4.731 0.726 -5.036 402 HA TRP 49 HA TRP 49 2.198 -0.801 -4.922 403 HB2 TRP 49 2HB TRP 49 2.767 2.027 -4.023 404 HB3 TRP 49 1HB TRP 49 1.138 1.410 -4.253 405 HD1 TRP 49 HD1 TRP 49 4.262 0.684 -2.076 406 HE1 TRP 49 HE1 TRP 49 3.449 -0.287 0.163 407 HE3 TRP 49 HE3 TRP 49 -0.737 0.370 -3.095 408 HZ2 TRP 49 HZ2 TRP 49 1.011 -1.085 1.345 409 HZ3 TRP 49 HZ3 TRP 49 -2.243 -0.512 -1.360 410 HH2 TRP 49 HH2 TRP 49 -1.386 -1.225 0.818 411 H LYS 50 H LYS 50 1.086 -0.874 -6.744 412 HA LYS 50 HA LYS 50 1.422 1.296 -8.733 413 HB2 LYS 50 2HB LYS 50 2.287 -0.715 -9.672 414 HB3 LYS 50 1HB LYS 50 0.935 -1.665 -9.078 415 HG2 LYS 50 2HG LYS 50 -0.544 -0.741 -10.699 416 HG3 LYS 50 1HG LYS 50 0.635 0.485 -11.169 417 HD2 LYS 50 2HD LYS 50 0.428 -1.431 -12.773 418 HD3 LYS 50 1HD LYS 50 2.062 -1.159 -12.168 419 HE2 LYS 50 2HE LYS 50 1.587 -3.534 -12.201 420 HE3 LYS 50 1HE LYS 50 1.734 -2.987 -10.534 421 HZ1 LYS 50 3HZ LYS 50 -0.128 -4.510 -10.861 422 HZ2 LYS 50 1HZ LYS 50 -0.832 -3.443 -11.964 423 HZ3 LYS 50 2HZ LYS 50 -0.666 -2.996 -10.341 424 H ARG 51 H ARG 51 -0.352 2.477 -9.177 425 HA ARG 51 HA ARG 51 -2.968 1.517 -8.210 426 HB2 ARG 51 2HB ARG 51 -2.103 3.642 -7.238 427 HB3 ARG 51 1HB ARG 51 -2.101 4.349 -8.850 428 HG2 ARG 51 2HG ARG 51 -4.603 3.805 -8.907 429 HG3 ARG 51 1HG ARG 51 -4.458 3.523 -7.173 430 HD2 ARG 51 2HD ARG 51 -5.118 5.745 -7.262 431 HD3 ARG 51 1HD ARG 51 -3.365 5.883 -7.132 432 HE ARG 51 HE ARG 51 -4.916 6.226 -9.616 433 HH11 ARG 51 1HH1 ARG 51 -2.089 6.839 -7.745 434 HH12 ARG 51 2HH1 ARG 51 -1.469 7.987 -8.875 435 HH21 ARG 51 1HH2 ARG 51 -4.118 7.717 -11.030 436 HH22 ARG 51 2HH2 ARG 51 -2.597 8.475 -10.713 437 H ASN 52 H ASN 52 -4.167 0.668 -9.807 438 HA ASN 52 HA ASN 52 -5.254 0.389 -11.789 439 HB2 ASN 52 2HB ASN 52 -6.142 2.601 -10.823 440 HB3 ASN 52 1HB ASN 52 -5.142 3.400 -12.030 441 HD21 ASN 52 1HD2 ASN 52 -6.975 4.269 -12.992 442 HD22 ASN 52 2HD2 ASN 52 -8.033 3.318 -13.966 443 H ASN 53 H ASN 53 -2.489 0.117 -12.010 444 HA ASN 53 HA ASN 53 -1.010 -0.396 -13.644 445 HB2 ASN 53 2HB ASN 53 -2.900 1.056 -15.502 446 HB3 ASN 53 1HB ASN 53 -1.433 0.233 -16.029 447 HD21 ASN 53 1HD2 ASN 53 -4.217 -0.324 -16.690 448 HD22 ASN 53 2HD2 ASN 53 -4.485 -1.964 -16.233 449 H GLU 54 H GLU 54 -1.458 2.508 -12.329 450 HA GLU 54 HA GLU 54 0.989 3.618 -13.579 451 HB2 GLU 54 2HB GLU 54 -1.122 5.053 -11.943 452 HB3 GLU 54 1HB GLU 54 0.317 5.791 -12.631 453 HG2 GLU 54 2HG GLU 54 -0.502 5.359 -14.875 454 HG3 GLU 54 1HG GLU 54 -1.923 4.544 -14.217 455 H MET 55 H MET 55 2.803 3.358 -12.340 456 HA MET 55 HA MET 55 2.597 2.432 -9.640 457 HB2 MET 55 2HB MET 55 4.425 1.703 -11.090 458 HB3 MET 55 1HB MET 55 5.040 3.347 -11.168 459 HG2 MET 55 2HG MET 55 5.754 3.316 -8.943 460 HG3 MET 55 1HG MET 55 4.740 1.929 -8.542 461 HE1 MET 55 3HE MET 55 6.591 -1.043 -10.177 462 HE2 MET 55 1HE MET 55 5.255 -0.115 -10.859 463 HE3 MET 55 2HE MET 55 5.259 -0.522 -9.143 464 H VAL 56 H VAL 56 2.919 3.463 -7.729 465 HA VAL 56 HA VAL 56 2.220 6.268 -7.790 466 HB VAL 56 HB VAL 56 2.576 4.501 -5.361 467 HG11 VAL 56 1HG1 VAL 56 0.980 7.029 -5.801 468 HG12 VAL 56 2HG1 VAL 56 2.442 6.865 -4.828 469 HG13 VAL 56 3HG1 VAL 56 0.958 6.052 -4.332 470 HG21 VAL 56 3HG2 VAL 56 1.038 3.422 -6.926 471 HG22 VAL 56 1HG2 VAL 56 0.091 4.907 -7.036 472 HG23 VAL 56 2HG2 VAL 56 0.172 4.023 -5.511 473 H GLN 57 H GLN 57 3.272 7.963 -6.716 474 HA GLN 57 HA GLN 57 6.115 7.532 -6.020 475 HB2 GLN 57 2HB GLN 57 4.741 10.103 -6.869 476 HB3 GLN 57 1HB GLN 57 6.460 9.901 -6.547 477 HG2 GLN 57 2HG GLN 57 6.633 8.357 -8.445 478 HG3 GLN 57 1HG GLN 57 4.913 8.565 -8.768 479 HE21 GLN 57 1HE2 GLN 57 4.196 10.522 -9.644 480 HE22 GLN 57 2HE2 GLN 57 5.278 11.652 -10.376 481 H PHE 58 H PHE 58 6.881 8.289 -4.011 482 HA PHE 58 HA PHE 58 4.724 8.961 -2.090 483 HB2 PHE 58 2HB PHE 58 7.278 7.442 -1.522 484 HB3 PHE 58 1HB PHE 58 5.931 7.693 -0.416 485 HD1 PHE 58 HD1 PHE 58 3.668 6.681 -1.053 486 HD2 PHE 58 HD2 PHE 58 7.332 5.576 -2.925 487 HE1 PHE 58 HE1 PHE 58 2.635 4.591 -1.834 488 HE2 PHE 58 HE2 PHE 58 6.300 3.482 -3.705 489 HZ PHE 58 HZ PHE 58 3.954 2.990 -3.160 490 H ASN 59 H ASN 59 6.956 10.649 -3.581 491 HA ASN 59 HA ASN 59 8.465 11.743 -1.362 492 HB2 ASN 59 2HB ASN 59 9.440 13.240 -3.077 493 HB3 ASN 59 1HB ASN 59 9.529 11.544 -3.539 494 HD21 ASN 59 1HD2 ASN 59 8.129 14.627 -4.241 495 HD22 ASN 59 2HD2 ASN 59 7.412 14.177 -5.745 496 H THR 60 H THR 60 5.662 12.073 -0.945 497 HA THR 60 HA THR 60 5.463 14.988 -0.814 498 HB THR 60 HB THR 60 4.393 14.716 -2.901 499 HG1 THR 60 HG1 THR 60 2.405 15.507 -2.448 500 HG21 THR 60 3HG2 THR 60 2.882 12.390 -1.710 501 HG22 THR 60 1HG2 THR 60 4.140 12.309 -2.943 502 HG23 THR 60 2HG2 THR 60 2.592 13.072 -3.309 503 H ASP 61 H ASP 61 3.265 15.608 0.284 504 HA ASP 61 HA ASP 61 2.988 14.023 2.715 505 HB2 ASP 61 2HB ASP 61 3.162 16.422 2.978 506 HB3 ASP 61 1HB ASP 61 1.813 16.687 1.877 507 H ARG 62 H ARG 62 1.155 14.779 -0.174 508 HA ARG 62 HA ARG 62 -1.353 13.773 0.747 509 HB2 ARG 62 2HB ARG 62 -0.263 14.328 -2.013 510 HB3 ARG 62 1HB ARG 62 -1.888 13.709 -1.747 511 HG2 ARG 62 2HG ARG 62 -2.487 15.686 -0.493 512 HG3 ARG 62 1HG ARG 62 -0.834 16.295 -0.600 513 HD2 ARG 62 2HD ARG 62 -1.017 16.723 -2.895 514 HD3 ARG 62 1HD ARG 62 -2.423 15.675 -3.072 515 HE ARG 62 HE ARG 62 -3.779 17.367 -2.223 516 HH11 ARG 62 1HH1 ARG 62 -0.479 18.363 -2.149 517 HH12 ARG 62 2HH1 ARG 62 -0.885 20.041 -2.096 518 HH21 ARG 62 1HH2 ARG 62 -4.281 19.500 -2.146 519 HH22 ARG 62 2HH2 ARG 62 -3.017 20.687 -2.120 520 H ILE 63 H ILE 63 1.461 12.299 -0.662 521 HA ILE 63 HA ILE 63 0.199 9.662 -0.279 522 HB ILE 63 HB ILE 63 2.110 10.333 -2.541 523 HG12 ILE 63 2HG1 ILE 63 -0.156 11.267 -2.932 524 HG13 ILE 63 1HG1 ILE 63 0.231 9.977 -4.064 525 HG21 ILE 63 1HG2 ILE 63 1.653 8.044 -3.306 526 HG22 ILE 63 2HG2 ILE 63 0.663 7.766 -1.872 527 HG23 ILE 63 3HG2 ILE 63 2.393 8.066 -1.705 528 HD11 ILE 63 3HD1 ILE 63 -1.536 9.742 -1.634 529 HD12 ILE 63 1HD1 ILE 63 -1.127 8.425 -2.736 530 HD13 ILE 63 2HD1 ILE 63 -2.060 9.804 -3.317 531 H SER 64 H SER 64 1.330 8.470 1.150 532 HA SER 64 HA SER 64 4.239 8.625 1.236 533 HB2 SER 64 2HB SER 64 4.371 9.125 3.625 534 HB3 SER 64 1HB SER 64 3.516 10.421 2.790 535 HG SER 64 HG SER 64 1.545 9.412 3.482 536 H LEU 65 H LEU 65 5.229 6.857 2.193 537 HA LEU 65 HA LEU 65 3.494 4.652 3.102 538 HB2 LEU 65 2HB LEU 65 3.915 4.282 0.735 539 HB3 LEU 65 1HB LEU 65 5.639 4.494 0.975 540 HG LEU 65 HG LEU 65 5.597 2.433 2.441 541 HD11 LEU 65 1HD1 LEU 65 3.235 2.402 2.986 542 HD12 LEU 65 2HD1 LEU 65 3.703 0.900 2.188 543 HD13 LEU 65 3HD1 LEU 65 2.824 2.140 1.292 544 HD21 LEU 65 3HD2 LEU 65 5.545 0.871 0.552 545 HD22 LEU 65 1HD2 LEU 65 6.416 2.352 0.154 546 HD23 LEU 65 2HD2 LEU 65 4.775 2.105 -0.445 547 H TYR 66 H TYR 66 4.313 3.530 4.824 548 HA TYR 66 HA TYR 66 7.218 3.453 5.200 549 HB2 TYR 66 2HB TYR 66 7.173 4.098 7.498 550 HB3 TYR 66 1HB TYR 66 6.299 5.333 6.605 551 HD1 TYR 66 HD2 TYR 66 3.822 5.491 6.809 552 HD2 TYR 66 HD1 TYR 66 6.090 2.747 9.152 553 HE1 TYR 66 HE2 TYR 66 1.920 5.235 8.350 554 HE2 TYR 66 HE1 TYR 66 4.199 2.488 10.694 555 HH TYR 66 HH TYR 66 1.095 3.437 9.986 556 H GLN 67 H GLN 67 7.989 1.575 6.115 557 HA GLN 67 HA GLN 67 5.978 -0.450 6.884 558 HB2 GLN 67 2HB GLN 67 7.651 -2.163 6.319 559 HB3 GLN 67 1HB GLN 67 7.261 -1.149 4.939 560 HG2 GLN 67 2HG GLN 67 9.327 0.012 5.090 561 HG3 GLN 67 1HG GLN 67 9.684 -0.697 6.665 562 HE21 GLN 67 1HE2 GLN 67 9.556 -1.277 3.242 563 HE22 GLN 67 2HE2 GLN 67 10.452 -2.749 3.253 564 H ASP 68 H ASP 68 5.965 -1.180 8.902 565 HA ASP 68 HA ASP 68 7.834 -0.170 10.847 566 HB2 ASP 68 2HB ASP 68 5.395 -0.411 11.302 567 HB3 ASP 68 1HB ASP 68 5.572 -2.160 11.191 568 H ASN 69 H ASN 69 8.919 -1.647 12.427 569 HA ASN 69 HA ASN 69 10.604 -3.468 11.068 570 HB2 ASN 69 2HB ASN 69 11.258 -2.138 13.072 571 HB3 ASN 69 1HB ASN 69 10.224 -3.166 14.057 572 HD21 ASN 69 1HD2 ASN 69 13.158 -3.002 12.202 573 HD22 ASN 69 2HD2 ASN 69 13.862 -4.449 12.829 574 H THR 70 H THR 70 7.563 -3.918 12.678 575 HA THR 70 HA THR 70 7.801 -6.787 13.005 576 HB THR 70 HB THR 70 5.416 -6.757 13.569 577 HG1 THR 70 HG1 THR 70 5.272 -3.962 13.322 578 HG21 THR 70 3HG2 THR 70 6.923 -4.464 14.841 579 HG22 THR 70 1HG2 THR 70 7.002 -6.157 15.330 580 HG23 THR 70 2HG2 THR 70 5.497 -5.254 15.515 581 H GLY 71 H GLY 71 7.550 -4.951 10.281 582 HA2 GLY 71 2HA GLY 71 7.212 -5.737 8.092 583 HA3 GLY 71 1HA GLY 71 6.395 -7.148 8.743 584 H ARG 72 H ARG 72 5.212 -4.329 10.157 585 HA ARG 72 HA ARG 72 2.707 -4.508 8.767 586 HB2 ARG 72 2HB ARG 72 2.701 -3.959 11.125 587 HB3 ARG 72 1HB ARG 72 3.721 -2.554 10.845 588 HG2 ARG 72 2HG ARG 72 1.928 -1.483 9.581 589 HG3 ARG 72 1HG ARG 72 0.904 -2.899 9.816 590 HD2 ARG 72 2HD ARG 72 2.016 -1.181 12.041 591 HD3 ARG 72 1HD ARG 72 0.385 -1.040 11.380 592 HE ARG 72 HE ARG 72 0.699 -3.678 12.149 593 HH11 ARG 72 1HH1 ARG 72 0.689 -0.586 13.687 594 HH12 ARG 72 2HH1 ARG 72 0.115 -1.226 15.186 595 HH21 ARG 72 1HH2 ARG 72 -0.044 -4.464 14.077 596 HH22 ARG 72 2HH2 ARG 72 -0.283 -3.389 15.407 597 H VAL 73 H VAL 73 2.443 -3.701 6.783 598 HA VAL 73 HA VAL 73 3.939 -1.338 5.904 599 HB VAL 73 HB VAL 73 2.096 -3.183 4.357 600 HG11 VAL 73 1HG1 VAL 73 3.920 -0.987 3.359 601 HG12 VAL 73 2HG1 VAL 73 2.157 -0.948 3.372 602 HG13 VAL 73 3HG1 VAL 73 3.004 -2.104 2.346 603 HG21 VAL 73 3HG2 VAL 73 4.131 -4.309 5.110 604 HG22 VAL 73 1HG2 VAL 73 5.114 -3.028 4.399 605 HG23 VAL 73 2HG2 VAL 73 4.148 -4.078 3.362 606 H THR 74 H THR 74 3.001 0.656 5.640 607 HA THR 74 HA THR 74 0.057 0.826 5.711 608 HB THR 74 HB THR 74 1.868 2.540 7.429 609 HG1 THR 74 HG1 THR 74 0.787 0.114 7.855 610 HG21 THR 74 3HG2 THR 74 -0.223 3.418 8.371 611 HG22 THR 74 1HG2 THR 74 -1.154 2.439 7.238 612 HG23 THR 74 2HG2 THR 74 -0.129 3.745 6.639 613 H LEU 75 H LEU 75 -0.623 1.910 4.015 614 HA LEU 75 HA LEU 75 1.000 4.082 2.869 615 HB2 LEU 75 2HB LEU 75 0.310 2.303 1.323 616 HB3 LEU 75 1HB LEU 75 -1.370 2.566 1.750 617 HG LEU 75 HG LEU 75 -1.225 4.854 0.773 618 HD11 LEU 75 1HD1 LEU 75 0.678 5.425 -0.657 619 HD12 LEU 75 2HD1 LEU 75 1.507 3.953 -0.150 620 HD13 LEU 75 3HD1 LEU 75 1.169 5.226 1.024 621 HD21 LEU 75 3HD2 LEU 75 -0.480 2.608 -1.106 622 HD22 LEU 75 1HD2 LEU 75 -1.239 4.135 -1.564 623 HD23 LEU 75 2HD2 LEU 75 -2.106 2.992 -0.539 624 H LEU 76 H LEU 76 0.389 6.146 3.165 625 HA LEU 76 HA LEU 76 -2.343 6.697 4.163 626 HB2 LEU 76 2HB LEU 76 0.221 8.221 4.692 627 HB3 LEU 76 1HB LEU 76 -1.370 8.687 5.271 628 HG LEU 76 HG LEU 76 0.112 6.164 6.054 629 HD11 LEU 76 1HD1 LEU 76 1.146 8.166 6.991 630 HD12 LEU 76 2HD1 LEU 76 0.344 7.224 8.245 631 HD13 LEU 76 3HD1 LEU 76 -0.413 8.692 7.625 632 HD21 LEU 76 3HD2 LEU 76 -1.682 5.894 7.712 633 HD22 LEU 76 1HD2 LEU 76 -2.302 5.835 6.063 634 HD23 LEU 76 2HD2 LEU 76 -2.518 7.292 7.034 635 H ILE 77 H ILE 77 -3.600 7.812 2.830 636 HA ILE 77 HA ILE 77 -2.357 9.521 0.757 637 HB ILE 77 HB ILE 77 -4.921 7.920 0.562 638 HG12 ILE 77 2HG1 ILE 77 -2.270 7.552 -0.872 639 HG13 ILE 77 1HG1 ILE 77 -2.842 6.558 0.462 640 HG21 ILE 77 1HG2 ILE 77 -5.123 9.986 -0.682 641 HG22 ILE 77 2HG2 ILE 77 -4.943 8.637 -1.803 642 HG23 ILE 77 3HG2 ILE 77 -3.575 9.700 -1.474 643 HD11 ILE 77 3HD1 ILE 77 -4.116 6.789 -2.257 644 HD12 ILE 77 1HD1 ILE 77 -4.731 5.821 -0.915 645 HD13 ILE 77 2HD1 ILE 77 -3.172 5.429 -1.645 646 H LYS 78 H LYS 78 -2.777 11.625 1.024 647 HA LYS 78 HA LYS 78 -5.192 12.457 2.506 648 HB2 LYS 78 2HB LYS 78 -2.639 14.038 2.155 649 HB3 LYS 78 1HB LYS 78 -3.980 14.410 3.227 650 HG2 LYS 78 2HG LYS 78 -3.460 12.443 4.579 651 HG3 LYS 78 1HG LYS 78 -2.127 12.040 3.488 652 HD2 LYS 78 2HD LYS 78 -1.114 14.266 4.023 653 HD3 LYS 78 1HD LYS 78 -2.385 14.508 5.221 654 HE2 LYS 78 2HE LYS 78 -1.621 12.491 6.413 655 HE3 LYS 78 1HE LYS 78 -0.332 12.291 5.226 656 HZ1 LYS 78 3HZ LYS 78 0.542 14.456 5.890 657 HZ2 LYS 78 1HZ LYS 78 0.490 13.385 7.197 658 HZ3 LYS 78 2HZ LYS 78 -0.672 14.603 7.057 659 H ASP 79 H ASP 79 -6.383 14.276 1.779 660 HA ASP 79 HA ASP 79 -7.373 15.668 0.272 661 HB2 ASP 79 2HB ASP 79 -5.127 16.800 0.693 662 HB3 ASP 79 1HB ASP 79 -4.580 16.100 -0.826 663 H VAL 80 H VAL 80 -7.440 12.990 -0.427 664 HA VAL 80 HA VAL 80 -6.500 12.436 -3.057 665 HB VAL 80 HB VAL 80 -6.978 10.746 -1.238 666 HG11 VAL 80 1HG1 VAL 80 -9.835 11.158 -2.102 667 HG12 VAL 80 2HG1 VAL 80 -9.155 11.576 -0.527 668 HG13 VAL 80 3HG1 VAL 80 -9.256 9.887 -1.028 669 HG21 VAL 80 3HG2 VAL 80 -8.249 10.251 -3.930 670 HG22 VAL 80 1HG2 VAL 80 -7.800 9.002 -2.767 671 HG23 VAL 80 2HG2 VAL 80 -6.554 10.009 -3.503 672 H ASN 81 H ASN 81 -7.522 12.590 -5.039 673 HA ASN 81 HA ASN 81 -10.386 13.330 -5.045 674 HB2 ASN 81 2HB ASN 81 -9.950 14.583 -7.184 675 HB3 ASN 81 1HB ASN 81 -9.248 15.298 -5.742 676 HD21 ASN 81 1HD2 ASN 81 -7.846 12.542 -7.450 677 HD22 ASN 81 2HD2 ASN 81 -6.449 13.386 -7.986 678 H LYS 82 H LYS 82 -11.248 12.973 -7.493 679 HA LYS 82 HA LYS 82 -11.595 10.267 -7.834 680 HB2 LYS 82 2HB LYS 82 -11.746 12.495 -9.861 681 HB3 LYS 82 1HB LYS 82 -12.216 10.845 -10.244 682 HG2 LYS 82 2HG LYS 82 -13.451 12.507 -8.047 683 HG3 LYS 82 1HG LYS 82 -14.116 12.324 -9.669 684 HD2 LYS 82 2HD LYS 82 -14.027 9.779 -9.181 685 HD3 LYS 82 1HD LYS 82 -13.860 10.264 -7.490 686 HE2 LYS 82 2HE LYS 82 -15.955 11.460 -7.583 687 HE3 LYS 82 1HE LYS 82 -16.111 11.126 -9.307 688 HZ1 LYS 82 3HZ LYS 82 -16.080 9.059 -7.171 689 HZ2 LYS 82 1HZ LYS 82 -16.310 8.785 -8.821 690 HZ3 LYS 82 2HZ LYS 82 -17.469 9.639 -7.938 691 H LYS 83 H LYS 83 -9.062 12.256 -9.345 692 HA LYS 83 HA LYS 83 -8.023 10.373 -11.129 693 HB2 LYS 83 2HB LYS 83 -6.638 12.599 -9.627 694 HB3 LYS 83 1HB LYS 83 -5.872 11.673 -10.911 695 HG2 LYS 83 2HG LYS 83 -8.357 13.360 -11.209 696 HG3 LYS 83 1HG LYS 83 -6.730 13.820 -11.712 697 HD2 LYS 83 2HD LYS 83 -8.281 11.449 -12.766 698 HD3 LYS 83 1HD LYS 83 -8.104 12.998 -13.593 699 HE2 LYS 83 2HE LYS 83 -5.699 12.676 -13.738 700 HE3 LYS 83 1HE LYS 83 -5.823 11.170 -12.830 701 HZ1 LYS 83 3HZ LYS 83 -7.106 10.216 -14.618 702 HZ2 LYS 83 1HZ LYS 83 -5.636 10.799 -15.217 703 HZ3 LYS 83 2HZ LYS 83 -7.058 11.670 -15.483 704 H ASP 84 H ASP 84 -7.540 10.620 -7.660 705 HA ASP 84 HA ASP 84 -5.289 8.783 -7.683 706 HB2 ASP 84 2HB ASP 84 -6.769 9.975 -5.326 707 HB3 ASP 84 1HB ASP 84 -5.231 9.118 -5.270 708 H ALA 85 H ALA 85 -8.601 8.330 -7.867 709 HA ALA 85 HA ALA 85 -8.719 6.004 -6.136 710 HB1 ALA 85 3HB ALA 85 -10.975 5.710 -6.999 711 HB2 ALA 85 1HB ALA 85 -10.686 6.938 -8.231 712 HB3 ALA 85 2HB ALA 85 -10.714 7.389 -6.526 713 H GLY 86 H GLY 86 -8.630 3.870 -6.739 714 HA2 GLY 86 2HA GLY 86 -8.801 2.806 -9.306 715 HA3 GLY 86 1HA GLY 86 -7.105 3.181 -9.040 716 H TRP 87 H TRP 87 -7.289 0.680 -9.446 717 HA TRP 87 HA TRP 87 -7.435 -0.690 -6.860 718 HB2 TRP 87 2HB TRP 87 -7.201 -1.601 -9.698 719 HB3 TRP 87 1HB TRP 87 -6.559 -2.647 -8.437 720 HD1 TRP 87 HD1 TRP 87 -9.893 -1.227 -9.725 721 HE1 TRP 87 HE1 TRP 87 -11.806 -2.639 -8.730 722 HE3 TRP 87 HE3 TRP 87 -7.183 -4.093 -6.470 723 HZ2 TRP 87 HZ2 TRP 87 -12.124 -4.677 -6.819 724 HZ3 TRP 87 HZ3 TRP 87 -8.373 -5.750 -5.088 725 HH2 TRP 87 HH2 TRP 87 -10.793 -6.033 -5.261 726 H TYR 88 H TYR 88 -5.722 -0.884 -5.593 727 HA TYR 88 HA TYR 88 -3.085 -0.123 -6.577 728 HB2 TYR 88 2HB TYR 88 -4.220 -0.492 -3.802 729 HB3 TYR 88 1HB TYR 88 -2.502 -0.243 -4.085 730 HD1 TYR 88 HD1 TYR 88 -5.838 1.326 -4.676 731 HD2 TYR 88 HD2 TYR 88 -1.637 1.921 -4.282 732 HE1 TYR 88 HE1 TYR 88 -6.183 3.761 -4.692 733 HE2 TYR 88 HE2 TYR 88 -1.975 4.355 -4.293 734 HH TYR 88 HH TYR 88 -5.084 5.793 -4.029 735 H THR 89 H THR 89 -1.376 -1.458 -6.713 736 HA THR 89 HA THR 89 -1.709 -4.286 -5.917 737 HB THR 89 HB THR 89 0.212 -3.304 -8.045 738 HG1 THR 89 HG1 THR 89 -2.158 -4.552 -8.848 739 HG21 THR 89 3HG2 THR 89 0.108 -5.640 -8.801 740 HG22 THR 89 1HG2 THR 89 -1.006 -6.015 -7.485 741 HG23 THR 89 2HG2 THR 89 0.650 -5.523 -7.127 742 H VAL 90 H VAL 90 -0.541 -4.646 -4.085 743 HA VAL 90 HA VAL 90 1.936 -3.114 -3.674 744 HB VAL 90 HB VAL 90 0.426 -2.872 -1.831 745 HG11 VAL 90 1HG1 VAL 90 0.366 -5.888 -1.624 746 HG12 VAL 90 2HG1 VAL 90 -0.954 -4.859 -2.180 747 HG13 VAL 90 3HG1 VAL 90 -0.404 -4.761 -0.507 748 HG21 VAL 90 3HG2 VAL 90 2.628 -4.793 -1.038 749 HG22 VAL 90 1HG2 VAL 90 1.804 -3.654 0.027 750 HG23 VAL 90 2HG2 VAL 90 2.821 -3.057 -1.284 751 H SER 91 H SER 91 3.734 -4.057 -4.274 752 HA SER 91 HA SER 91 4.019 -6.990 -4.054 753 HB2 SER 91 2HB SER 91 5.516 -5.046 -5.845 754 HB3 SER 91 1HB SER 91 5.774 -6.791 -5.787 755 HG SER 91 HG SER 91 3.843 -7.133 -6.729 756 H ALA 92 H ALA 92 5.460 -7.785 -2.652 757 HA ALA 92 HA ALA 92 7.523 -5.979 -1.539 758 HB1 ALA 92 3HB ALA 92 5.749 -6.559 0.085 759 HB2 ALA 92 1HB ALA 92 7.337 -7.149 0.572 760 HB3 ALA 92 2HB ALA 92 6.154 -8.265 -0.112 761 H VAL 93 H VAL 93 9.520 -6.548 -2.163 762 HA VAL 93 HA VAL 93 10.031 -9.381 -2.831 763 HB VAL 93 HB VAL 93 10.192 -7.969 -4.788 764 HG11 VAL 93 1HG1 VAL 93 12.297 -6.408 -3.282 765 HG12 VAL 93 2HG1 VAL 93 10.693 -5.832 -3.736 766 HG13 VAL 93 3HG1 VAL 93 11.884 -6.197 -4.985 767 HG21 VAL 93 3HG2 VAL 93 11.707 -9.872 -4.668 768 HG22 VAL 93 1HG2 VAL 93 12.917 -8.885 -3.847 769 HG23 VAL 93 2HG2 VAL 93 12.478 -8.533 -5.519 770 H ASN 94 H ASN 94 11.165 -10.420 -1.367 771 HA ASN 94 HA ASN 94 13.454 -9.089 -0.044 772 HB2 ASN 94 2HB ASN 94 11.717 -9.960 1.509 773 HB3 ASN 94 1HB ASN 94 11.923 -11.567 0.825 774 HD21 ASN 94 1HD2 ASN 94 12.524 -12.448 2.804 775 HD22 ASN 94 2HD2 ASN 94 14.054 -12.119 3.531 776 H GLU 95 H GLU 95 15.432 -10.415 0.194 777 HA GLU 95 HA GLU 95 16.285 -11.657 -2.144 778 HB2 GLU 95 2HB GLU 95 18.199 -12.495 -0.862 779 HB3 GLU 95 1HB GLU 95 17.849 -10.823 -0.453 780 HG2 GLU 95 2HG GLU 95 16.902 -11.433 1.637 781 HG3 GLU 95 1HG GLU 95 16.876 -13.142 1.202 782 H ALA 96 H ALA 96 14.772 -13.098 0.695 783 HA ALA 96 HA ALA 96 15.167 -15.814 -0.089 784 HB1 ALA 96 3HB ALA 96 13.643 -16.360 1.736 785 HB2 ALA 96 1HB ALA 96 13.222 -14.654 1.898 786 HB3 ALA 96 2HB ALA 96 14.868 -15.194 2.237 787 H GLY 97 H GLY 97 12.943 -13.462 -1.220 788 HA2 GLY 97 2HA GLY 97 11.767 -14.862 -3.214 789 HA3 GLY 97 1HA GLY 97 10.796 -15.330 -1.829 790 H VAL 98 H VAL 98 9.227 -14.270 -3.513 791 HA VAL 98 HA VAL 98 8.868 -11.442 -2.745 792 HB VAL 98 HB VAL 98 9.941 -11.476 -4.966 793 HG11 VAL 98 1HG1 VAL 98 7.484 -12.976 -5.883 794 HG12 VAL 98 2HG1 VAL 98 9.111 -13.644 -5.745 795 HG13 VAL 98 3HG1 VAL 98 8.778 -12.369 -6.917 796 HG21 VAL 98 3HG2 VAL 98 8.419 -9.640 -4.425 797 HG22 VAL 98 1HG2 VAL 98 7.053 -10.567 -5.046 798 HG23 VAL 98 2HG2 VAL 98 8.330 -10.034 -6.142 799 H THR 99 H THR 99 6.712 -10.678 -2.743 800 HA THR 99 HA THR 99 4.560 -12.550 -3.437 801 HB THR 99 HB THR 99 4.915 -12.963 -1.053 802 HG1 THR 99 HG1 THR 99 2.766 -13.061 -1.725 803 HG21 THR 99 3HG2 THR 99 4.389 -10.007 -0.698 804 HG22 THR 99 1HG2 THR 99 5.918 -10.836 -0.410 805 HG23 THR 99 2HG2 THR 99 4.520 -11.187 0.605 806 H THR 100 H THR 100 2.615 -11.561 -4.046 807 HA THR 100 HA THR 100 2.555 -8.604 -3.991 808 HB THR 100 HB THR 100 1.885 -10.324 -6.400 809 HG1 THR 100 HG1 THR 100 3.906 -9.953 -6.871 810 HG21 THR 100 3HG2 THR 100 0.333 -8.449 -6.250 811 HG22 THR 100 1HG2 THR 100 1.481 -8.183 -7.564 812 HG23 THR 100 2HG2 THR 100 1.678 -7.329 -6.034 813 H CYS 101 H CYS 101 0.601 -7.701 -3.519 814 HA CYS 101 HA CYS 101 -1.819 -9.388 -3.599 815 HB2 CYS 101 2HB CYS 101 -1.009 -9.376 -1.277 816 HB3 CYS 101 1HB CYS 101 -1.011 -7.616 -1.278 817 HG CYS 101 HG CYS 101 -3.228 -9.122 0.081 818 H ASN 102 H ASN 102 -3.849 -7.906 -3.163 819 HA ASN 102 HA ASN 102 -3.475 -5.363 -4.623 820 HB2 ASN 102 2HB ASN 102 -5.629 -7.432 -5.122 821 HB3 ASN 102 1HB ASN 102 -5.596 -5.827 -5.846 822 HD21 ASN 102 1HD2 ASN 102 -4.058 -5.368 -7.428 823 HD22 ASN 102 2HD2 ASN 102 -3.175 -6.619 -8.233 824 H THR 103 H THR 103 -4.967 -3.714 -4.224 825 HA THR 103 HA THR 103 -6.944 -4.057 -2.084 826 HB THR 103 HB THR 103 -4.848 -1.862 -2.018 827 HG1 THR 103 HG1 THR 103 -4.923 -4.401 -0.940 828 HG21 THR 103 3HG2 THR 103 -7.004 -1.158 -1.093 829 HG22 THR 103 1HG2 THR 103 -5.809 -1.344 0.191 830 HG23 THR 103 2HG2 THR 103 -7.038 -2.585 -0.055 831 H ARG 104 H ARG 104 -8.651 -2.487 -2.173 832 HA ARG 104 HA ARG 104 -8.680 -0.909 -4.676 833 HB2 ARG 104 2HB ARG 104 -10.359 -2.640 -4.705 834 HB3 ARG 104 1HB ARG 104 -10.964 -2.148 -3.129 835 HG2 ARG 104 2HG ARG 104 -11.718 -0.023 -4.067 836 HG3 ARG 104 1HG ARG 104 -11.087 -0.487 -5.646 837 HD2 ARG 104 2HD ARG 104 -12.661 -2.332 -5.766 838 HD3 ARG 104 1HD ARG 104 -13.246 -1.971 -4.139 839 HE ARG 104 HE ARG 104 -13.749 0.328 -5.306 840 HH11 ARG 104 1HH1 ARG 104 -14.318 -2.863 -6.503 841 HH12 ARG 104 2HH1 ARG 104 -15.597 -2.344 -7.544 842 HH21 ARG 104 1HH2 ARG 104 -15.392 0.954 -6.600 843 HH22 ARG 104 2HH2 ARG 104 -16.221 -0.211 -7.577 844 H LEU 105 H LEU 105 -9.234 1.240 -4.664 845 HA LEU 105 HA LEU 105 -10.182 2.442 -2.146 846 HB2 LEU 105 2HB LEU 105 -7.786 2.886 -2.287 847 HB3 LEU 105 1HB LEU 105 -7.979 3.536 -3.904 848 HG LEU 105 HG LEU 105 -9.337 5.393 -2.986 849 HD11 LEU 105 1HD1 LEU 105 -9.418 5.766 -0.569 850 HD12 LEU 105 2HD1 LEU 105 -8.637 4.208 -0.298 851 HD13 LEU 105 3HD1 LEU 105 -10.245 4.276 -1.022 852 HD21 LEU 105 3HD2 LEU 105 -6.954 5.726 -3.315 853 HD22 LEU 105 1HD2 LEU 105 -6.617 5.064 -1.715 854 HD23 LEU 105 2HD2 LEU 105 -7.495 6.586 -1.873 855 H ASP 106 H ASP 106 -12.011 3.573 -2.457 856 HA ASP 106 HA ASP 106 -12.629 4.538 -5.180 857 HB2 ASP 106 2HB ASP 106 -14.508 3.850 -2.908 858 HB3 ASP 106 1HB ASP 106 -15.004 4.471 -4.479 859 H VAL 107 H VAL 107 -13.230 6.639 -5.525 860 HA VAL 107 HA VAL 107 -13.380 8.448 -3.198 861 HB VAL 107 HB VAL 107 -11.936 9.075 -5.792 862 HG11 VAL 107 1HG1 VAL 107 -12.307 10.732 -3.292 863 HG12 VAL 107 2HG1 VAL 107 -13.016 11.050 -4.876 864 HG13 VAL 107 3HG1 VAL 107 -11.270 11.161 -4.652 865 HG21 VAL 107 3HG2 VAL 107 -10.659 7.528 -4.392 866 HG22 VAL 107 1HG2 VAL 107 -10.829 8.618 -3.015 867 HG23 VAL 107 2HG2 VAL 107 -9.897 9.118 -4.428 868 H THR 108 H THR 108 -14.833 10.159 -3.376 869 HA THR 108 HA THR 108 -16.597 10.141 -5.751 870 HB THR 108 HB THR 108 -17.419 10.317 -2.847 871 HG1 THR 108 HG1 THR 108 -17.908 8.261 -3.051 872 HG21 THR 108 3HG2 THR 108 -19.741 10.365 -3.677 873 HG22 THR 108 1HG2 THR 108 -19.138 10.489 -5.329 874 HG23 THR 108 2HG2 THR 108 -18.835 11.792 -4.179 875 H ALA 109 H ALA 109 -17.515 12.130 -6.372 876 HA ALA 109 HA ALA 109 -15.916 14.431 -5.733 877 HB1 ALA 109 3HB ALA 109 -18.378 14.219 -7.469 878 HB2 ALA 109 1HB ALA 109 -16.715 13.990 -8.010 879 HB3 ALA 109 2HB ALA 109 -17.242 15.569 -7.427 880 H ARG 110 H ARG 110 -16.394 16.130 -4.424 881 HA ARG 110 HA ARG 110 -18.552 15.917 -2.559 882 HB2 ARG 110 2HB ARG 110 -16.459 18.030 -3.064 883 HB3 ARG 110 1HB ARG 110 -17.713 18.236 -1.849 884 HG2 ARG 110 2HG ARG 110 -16.930 16.174 -0.734 885 HG3 ARG 110 1HG ARG 110 -15.625 16.063 -1.919 886 HD2 ARG 110 2HD ARG 110 -14.939 17.102 0.238 887 HD3 ARG 110 1HD ARG 110 -14.678 18.138 -1.166 888 HE ARG 110 HE ARG 110 -16.926 19.158 -0.453 889 HH11 ARG 110 1HH1 ARG 110 -14.692 17.814 1.791 890 HH12 ARG 110 2HH1 ARG 110 -15.097 18.944 3.034 891 HH21 ARG 110 1HH2 ARG 110 -17.438 20.594 1.124 892 HH22 ARG 110 2HH2 ARG 110 -16.645 20.514 2.659 893 HA PRO 111 HA PRO 111 -21.622 18.442 -4.676 894 HB2 PRO 111 2HB PRO 111 -23.078 19.228 -2.514 895 HB3 PRO 111 1HB PRO 111 -23.169 17.597 -3.190 896 HG2 PRO 111 2HG PRO 111 -21.605 18.578 -0.827 897 HG3 PRO 111 1HG PRO 111 -22.584 17.107 -0.987 898 HD2 PRO 111 2HD PRO 111 -19.892 17.070 -1.213 899 HD3 PRO 111 1HD PRO 111 -20.933 15.976 -2.146 900 H ASN 112 H ASN 112 -19.607 19.641 -2.069 901 HA ASN 112 HA ASN 112 -19.281 22.189 -3.355 902 HB2 ASN 112 2HB ASN 112 -21.399 22.611 -2.180 903 HB3 ASN 112 1HB ASN 112 -20.665 22.117 -0.659 904 HD21 ASN 112 1HD2 ASN 112 -20.806 24.590 -3.093 905 HD22 ASN 112 2HD2 ASN 112 -20.041 25.825 -2.159 906 H GLN 113 H GLN 113 -17.396 23.187 -2.752 907 HA GLN 113 HA GLN 113 -16.036 22.335 -0.300 908 HB2 GLN 113 2HB GLN 113 -13.877 22.085 -1.570 909 HB3 GLN 113 1HB GLN 113 -15.072 20.836 -1.887 910 HG2 GLN 113 2HG GLN 113 -15.687 21.977 -3.983 911 HG3 GLN 113 1HG GLN 113 -14.445 23.189 -3.669 912 HE21 GLN 113 1HE2 GLN 113 -13.334 22.666 -5.569 913 HE22 GLN 113 2HE2 GLN 113 -12.420 21.208 -5.718 914 H THR 114 H THR 114 -15.844 24.194 0.774 915 HA THR 114 HA THR 114 -14.861 26.584 -0.673 916 HB THR 114 HB THR 114 -16.134 27.989 0.919 917 HG1 THR 114 HG1 THR 114 -17.889 26.713 2.062 918 HG21 THR 114 3HG2 THR 114 -18.386 27.543 0.017 919 HG22 THR 114 1HG2 THR 114 -17.831 25.977 -0.573 920 HG23 THR 114 2HG2 THR 114 -17.149 27.462 -1.238 921 H LEU 115 H LEU 115 -13.185 27.682 0.187 922 HA LEU 115 HA LEU 115 -11.420 28.248 1.487 923 HB2 LEU 115 2HB LEU 115 -13.181 27.328 3.763 924 HB3 LEU 115 1HB LEU 115 -11.716 28.278 3.931 925 HG LEU 115 HG LEU 115 -14.299 29.154 2.626 926 HD11 LEU 115 1HD1 LEU 115 -12.891 30.123 5.115 927 HD12 LEU 115 2HD1 LEU 115 -14.349 29.132 5.068 928 HD13 LEU 115 3HD1 LEU 115 -14.384 30.780 4.440 929 HD21 LEU 115 3HD2 LEU 115 -12.421 30.071 1.383 930 HD22 LEU 115 1HD2 LEU 115 -11.683 30.647 2.879 931 HD23 LEU 115 2HD2 LEU 115 -13.210 31.335 2.326 932 HA PRO 116 HA PRO 116 -9.520 24.051 1.694 933 HB2 PRO 116 2HB PRO 116 -7.156 25.698 0.975 934 HB3 PRO 116 1HB PRO 116 -7.770 24.223 0.219 935 HG2 PRO 116 2HG PRO 116 -8.025 26.596 -0.984 936 HG3 PRO 116 1HG PRO 116 -9.306 25.375 -1.085 937 HD2 PRO 116 2HD PRO 116 -9.154 27.823 0.650 938 HD3 PRO 116 1HD PRO 116 -10.536 27.171 -0.259 Start of MODEL 5 1 H1 MET 1 1H MET 1 37.386 -19.263 0.878 2 H2 MET 1 2H MET 1 37.699 -20.525 1.955 3 H3 MET 1 3H MET 1 36.400 -20.638 0.879 4 HA MET 1 HA MET 1 39.275 -20.582 0.157 5 HB2 MET 1 2HB MET 1 38.949 -22.902 -0.537 6 HB3 MET 1 1HB MET 1 38.533 -22.712 1.161 7 HG2 MET 1 2HG MET 1 36.553 -22.816 -1.112 8 HG3 MET 1 1HG MET 1 36.950 -24.157 -0.037 9 HE1 MET 1 3HE MET 1 35.473 -23.084 3.361 10 HE2 MET 1 1HE MET 1 37.145 -22.916 2.830 11 HE3 MET 1 2HE MET 1 36.231 -24.367 2.417 12 H GLY 2 H GLY 2 39.453 -21.496 -2.193 13 HA2 GLY 2 2HA GLY 2 39.014 -21.313 -4.435 14 HA3 GLY 2 1HA GLY 2 37.315 -21.249 -4.009 15 H HIS 3 H HIS 3 36.237 -19.351 -4.241 16 HA HIS 3 HA HIS 3 37.702 -17.247 -5.646 17 HB2 HIS 3 2HB HIS 3 35.651 -18.295 -6.615 18 HB3 HIS 3 1HB HIS 3 34.715 -17.610 -5.294 19 HD1 HIS 3 HD1 HIS 3 36.761 -16.519 -8.296 20 HD2 HIS 3 HD2 HIS 3 33.859 -15.032 -5.716 21 HE1 HIS 3 HE1 HIS 3 36.037 -14.332 -9.284 22 HE2 HIS 3 HE2 HIS 3 34.403 -13.381 -7.631 23 H HIS 4 H HIS 4 36.816 -17.774 -2.492 24 HA HIS 4 HA HIS 4 37.025 -16.472 -0.638 25 HB2 HIS 4 2HB HIS 4 37.718 -14.339 -2.649 26 HB3 HIS 4 1HB HIS 4 37.598 -13.991 -0.930 27 HD1 HIS 4 HD1 HIS 4 39.656 -14.334 0.392 28 HD2 HIS 4 HD2 HIS 4 39.776 -16.396 -3.212 29 HE1 HIS 4 HE1 HIS 4 41.971 -15.299 0.248 30 HE2 HIS 4 HE2 HIS 4 41.956 -16.687 -1.851 31 H HIS 5 H HIS 5 34.591 -16.062 -2.902 32 HA HIS 5 HA HIS 5 33.206 -13.846 -1.767 33 HB2 HIS 5 2HB HIS 5 32.825 -14.705 -4.089 34 HB3 HIS 5 1HB HIS 5 32.024 -16.112 -3.396 35 HD1 HIS 5 HD1 HIS 5 31.614 -12.369 -3.713 36 HD2 HIS 5 HD2 HIS 5 29.378 -15.724 -2.698 37 HE1 HIS 5 HE1 HIS 5 29.243 -11.569 -3.529 38 HE2 HIS 5 HE2 HIS 5 27.891 -13.637 -3.065 39 H HIS 6 H HIS 6 32.397 -13.795 0.212 40 HA HIS 6 HA HIS 6 32.110 -15.918 1.967 41 HB2 HIS 6 2HB HIS 6 32.198 -13.478 2.551 42 HB3 HIS 6 1HB HIS 6 30.517 -13.342 2.052 43 HD1 HIS 6 HD1 HIS 6 28.844 -13.683 3.864 44 HD2 HIS 6 HD2 HIS 6 32.526 -15.365 4.805 45 HE1 HIS 6 HE1 HIS 6 28.625 -14.504 6.225 46 HE2 HIS 6 HE2 HIS 6 30.915 -15.348 6.826 47 H HIS 7 H HIS 7 30.950 -17.686 1.356 48 HA HIS 7 HA HIS 7 28.184 -17.325 0.391 49 HB2 HIS 7 2HB HIS 7 29.792 -18.515 -1.097 50 HB3 HIS 7 1HB HIS 7 29.977 -19.755 0.137 51 HD1 HIS 7 HD1 HIS 7 28.305 -21.630 0.121 52 HD2 HIS 7 HD2 HIS 7 27.119 -18.418 -2.235 53 HE1 HIS 7 HE1 HIS 7 26.262 -22.412 -1.108 54 HE2 HIS 7 HE2 HIS 7 25.668 -20.516 -2.650 55 H HIS 8 H HIS 8 29.772 -18.069 3.216 56 HA HIS 8 HA HIS 8 27.485 -19.685 4.174 57 HB2 HIS 8 2HB HIS 8 29.648 -20.938 4.123 58 HB3 HIS 8 1HB HIS 8 30.311 -19.775 5.265 59 HD1 HIS 8 HD1 HIS 8 27.680 -22.462 5.014 60 HD2 HIS 8 HD2 HIS 8 29.681 -20.258 7.917 61 HE1 HIS 8 HE1 HIS 8 27.039 -23.499 7.211 62 HE2 HIS 8 HE2 HIS 8 28.231 -22.128 8.956 63 H SER 9 H SER 9 26.231 -18.039 4.956 64 HA SER 9 HA SER 9 27.405 -16.014 6.718 65 HB2 SER 9 2HB SER 9 25.244 -14.873 6.546 66 HB3 SER 9 1HB SER 9 25.844 -15.285 4.940 67 HG SER 9 HG SER 9 24.267 -16.700 4.683 68 H HIS 10 H HIS 10 25.115 -18.699 6.850 69 HA HIS 10 HA HIS 10 24.059 -19.766 8.561 70 HB2 HIS 10 2HB HIS 10 26.389 -19.827 9.502 71 HB3 HIS 10 1HB HIS 10 26.031 -18.347 10.379 72 HD1 HIS 10 HD1 HIS 10 26.661 -19.892 12.492 73 HD2 HIS 10 HD2 HIS 10 23.114 -20.845 10.547 74 HE1 HIS 10 HE1 HIS 10 25.381 -21.328 14.098 75 HE2 HIS 10 HE2 HIS 10 23.205 -21.819 12.943 76 H GLU 11 H GLU 11 23.345 -17.001 7.684 77 HA GLU 11 HA GLU 11 21.938 -15.950 10.034 78 HB2 GLU 11 2HB GLU 11 22.179 -14.865 7.215 79 HB3 GLU 11 1HB GLU 11 21.333 -14.064 8.532 80 HG2 GLU 11 2HG GLU 11 23.443 -13.898 9.776 81 HG3 GLU 11 1HG GLU 11 24.283 -14.677 8.437 82 H HIS 12 H HIS 12 19.613 -15.314 9.744 83 HA HIS 12 HA HIS 12 18.163 -17.529 8.453 84 HB2 HIS 12 2HB HIS 12 17.186 -15.518 10.501 85 HB3 HIS 12 1HB HIS 12 16.284 -16.908 9.905 86 HD1 HIS 12 HD1 HIS 12 17.786 -16.011 12.845 87 HD2 HIS 12 HD2 HIS 12 18.289 -19.334 10.396 88 HE1 HIS 12 HE1 HIS 12 18.785 -17.787 14.316 89 HE2 HIS 12 HE2 HIS 12 18.931 -19.831 12.852 90 H LYS 13 H LYS 13 17.219 -17.162 6.535 91 HA LYS 13 HA LYS 13 16.172 -14.452 5.976 92 HB2 LYS 13 2HB LYS 13 17.130 -16.562 4.029 93 HB3 LYS 13 1HB LYS 13 16.327 -15.069 3.556 94 HG2 LYS 13 2HG LYS 13 18.195 -13.836 4.745 95 HG3 LYS 13 1HG LYS 13 19.029 -15.389 4.848 96 HD2 LYS 13 2HD LYS 13 18.093 -14.090 2.285 97 HD3 LYS 13 1HD LYS 13 19.742 -14.025 2.902 98 HE2 LYS 13 2HE LYS 13 18.282 -16.589 2.252 99 HE3 LYS 13 1HE LYS 13 19.356 -15.753 1.131 100 HZ1 LYS 13 3HZ LYS 13 21.150 -16.008 2.760 101 HZ2 LYS 13 1HZ LYS 13 20.538 -17.503 2.255 102 HZ3 LYS 13 2HZ LYS 13 20.116 -16.882 3.770 103 H ARG 14 H ARG 14 14.030 -14.273 5.971 104 HA ARG 14 HA ARG 14 12.372 -16.672 5.468 105 HB2 ARG 14 2HB ARG 14 12.234 -15.730 7.779 106 HB3 ARG 14 1HB ARG 14 11.660 -14.216 7.098 107 HG2 ARG 14 2HG ARG 14 9.762 -15.401 7.902 108 HG3 ARG 14 1HG ARG 14 9.712 -15.472 6.140 109 HD2 ARG 14 2HD ARG 14 10.716 -17.732 6.238 110 HD3 ARG 14 1HD ARG 14 10.674 -17.654 7.998 111 HE ARG 14 HE ARG 14 8.188 -17.423 6.445 112 HH11 ARG 14 1HH1 ARG 14 10.083 -19.007 8.846 113 HH12 ARG 14 2HH1 ARG 14 8.822 -20.104 9.278 114 HH21 ARG 14 1HH2 ARG 14 6.578 -18.852 6.999 115 HH22 ARG 14 2HH2 ARG 14 6.868 -20.043 8.217 116 H ALA 15 H ALA 15 11.068 -16.622 3.723 117 HA ALA 15 HA ALA 15 10.958 -14.361 1.985 118 HB1 ALA 15 3HB ALA 15 9.304 -16.891 1.950 119 HB2 ALA 15 1HB ALA 15 10.853 -16.653 1.139 120 HB3 ALA 15 2HB ALA 15 9.440 -15.726 0.631 121 HA PRO 16 HA PRO 16 7.661 -12.049 3.807 122 HB2 PRO 16 2HB PRO 16 6.688 -10.766 1.586 123 HB3 PRO 16 1HB PRO 16 8.178 -10.308 2.418 124 HG2 PRO 16 2HG PRO 16 7.827 -11.977 -0.049 125 HG3 PRO 16 1HG PRO 16 9.014 -10.698 0.280 126 HD2 PRO 16 2HD PRO 16 9.660 -13.307 0.464 127 HD3 PRO 16 1HD PRO 16 10.353 -12.092 1.558 128 H MET 17 H MET 17 5.640 -12.488 4.409 129 HA MET 17 HA MET 17 3.823 -13.860 2.530 130 HB2 MET 17 2HB MET 17 4.579 -15.569 4.012 131 HB3 MET 17 1HB MET 17 4.391 -14.532 5.419 132 HG2 MET 17 2HG MET 17 2.655 -16.257 5.267 133 HG3 MET 17 1HG MET 17 1.991 -14.625 5.228 134 HE1 MET 17 3HE MET 17 -0.520 -16.520 2.940 135 HE2 MET 17 1HE MET 17 -0.312 -15.490 4.358 136 HE3 MET 17 2HE MET 17 0.266 -17.158 4.384 137 H PHE 18 H PHE 18 1.980 -12.752 2.221 138 HA PHE 18 HA PHE 18 1.141 -10.603 3.918 139 HB2 PHE 18 2HB PHE 18 -0.092 -12.006 1.557 140 HB3 PHE 18 1HB PHE 18 -1.053 -10.886 2.513 141 HD1 PHE 18 HD1 PHE 18 -0.412 -8.488 2.621 142 HD2 PHE 18 HD2 PHE 18 1.535 -11.228 0.001 143 HE1 PHE 18 HE1 PHE 18 0.454 -6.606 1.297 144 HE2 PHE 18 HE2 PHE 18 2.403 -9.344 -1.323 145 HZ PHE 18 HZ PHE 18 1.862 -7.031 -0.675 146 H ILE 19 H ILE 19 0.588 -11.139 5.956 147 HA ILE 19 HA ILE 19 -0.939 -13.480 6.613 148 HB ILE 19 HB ILE 19 -0.493 -11.075 8.399 149 HG12 ILE 19 2HG1 ILE 19 1.331 -13.476 8.020 150 HG13 ILE 19 1HG1 ILE 19 1.668 -11.848 7.442 151 HG21 ILE 19 1HG2 ILE 19 -0.947 -14.002 9.007 152 HG22 ILE 19 2HG2 ILE 19 -2.124 -12.703 9.205 153 HG23 ILE 19 3HG2 ILE 19 -0.672 -12.734 10.203 154 HD11 ILE 19 3HD1 ILE 19 1.671 -11.045 9.765 155 HD12 ILE 19 1HD1 ILE 19 2.894 -12.278 9.465 156 HD13 ILE 19 2HD1 ILE 19 1.411 -12.700 10.319 157 H TYR 20 H TYR 20 -1.624 -10.107 6.007 158 HA TYR 20 HA TYR 20 -4.518 -10.664 6.024 159 HB2 TYR 20 2HB TYR 20 -3.156 -8.244 7.247 160 HB3 TYR 20 1HB TYR 20 -4.885 -8.353 6.950 161 HD1 TYR 20 HD2 TYR 20 -2.102 -9.653 8.985 162 HD2 TYR 20 HD1 TYR 20 -6.314 -9.620 8.394 163 HE1 TYR 20 HE2 TYR 20 -2.413 -10.675 11.193 164 HE2 TYR 20 HE1 TYR 20 -6.640 -10.643 10.601 165 HH TYR 20 HH TYR 20 -5.489 -11.879 12.250 166 H LYS 21 H LYS 21 -5.677 -9.641 4.401 167 HA LYS 21 HA LYS 21 -4.157 -8.015 2.478 168 HB2 LYS 21 2HB LYS 21 -6.092 -8.331 0.970 169 HB3 LYS 21 1HB LYS 21 -5.406 -9.861 1.496 170 HG2 LYS 21 2HG LYS 21 -7.215 -10.157 3.094 171 HG3 LYS 21 1HG LYS 21 -7.882 -8.582 2.659 172 HD2 LYS 21 2HD LYS 21 -8.358 -9.346 0.413 173 HD3 LYS 21 1HD LYS 21 -7.544 -10.880 0.720 174 HE2 LYS 21 2HE LYS 21 -9.234 -11.465 2.377 175 HE3 LYS 21 1HE LYS 21 -10.032 -9.911 2.136 176 HZ1 LYS 21 3HZ LYS 21 -9.650 -11.873 -0.051 177 HZ2 LYS 21 1HZ LYS 21 -10.658 -10.519 -0.040 178 HZ3 LYS 21 2HZ LYS 21 -11.028 -11.856 0.926 179 HA PRO 22 HA PRO 22 -6.272 -4.348 3.921 180 HB2 PRO 22 2HB PRO 22 -5.737 -2.880 1.529 181 HB3 PRO 22 1HB PRO 22 -4.830 -2.849 3.041 182 HG2 PRO 22 2HG PRO 22 -3.930 -3.874 0.609 183 HG3 PRO 22 1HG PRO 22 -3.196 -4.167 2.192 184 HD2 PRO 22 2HD PRO 22 -4.971 -5.915 0.563 185 HD3 PRO 22 1HD PRO 22 -3.686 -6.359 1.708 186 H GLN 23 H GLN 23 -8.328 -3.600 3.853 187 HA GLN 23 HA GLN 23 -10.048 -4.619 1.719 188 HB2 GLN 23 2HB GLN 23 -10.691 -3.507 4.460 189 HB3 GLN 23 1HB GLN 23 -11.909 -4.033 3.304 190 HG2 GLN 23 2HG GLN 23 -11.051 -6.296 3.363 191 HG3 GLN 23 1HG GLN 23 -9.733 -5.797 4.421 192 HE21 GLN 23 1HE2 GLN 23 -10.354 -7.282 5.995 193 HE22 GLN 23 2HE2 GLN 23 -11.739 -7.031 6.995 194 H SER 24 H SER 24 -11.559 -3.337 0.603 195 HA SER 24 HA SER 24 -10.532 -0.959 -0.412 196 HB2 SER 24 2HB SER 24 -12.701 -0.691 -1.568 197 HB3 SER 24 1HB SER 24 -12.096 -2.343 -1.672 198 HG SER 24 HG SER 24 -14.448 -1.631 -0.869 199 H LYS 25 H LYS 25 -10.634 1.115 0.116 200 HA LYS 25 HA LYS 25 -12.484 1.976 2.259 201 HB2 LYS 25 2HB LYS 25 -9.760 3.117 1.581 202 HB3 LYS 25 1HB LYS 25 -10.800 3.638 2.895 203 HG2 LYS 25 2HG LYS 25 -9.849 0.799 2.785 204 HG3 LYS 25 1HG LYS 25 -8.775 2.067 3.364 205 HD2 LYS 25 2HD LYS 25 -9.803 1.155 5.289 206 HD3 LYS 25 1HD LYS 25 -10.599 2.700 5.003 207 HE2 LYS 25 2HE LYS 25 -12.496 1.551 3.989 208 HE3 LYS 25 1HE LYS 25 -11.690 -0.003 4.200 209 HZ1 LYS 25 3HZ LYS 25 -13.326 0.411 5.938 210 HZ2 LYS 25 1HZ LYS 25 -12.513 1.823 6.394 211 HZ3 LYS 25 2HZ LYS 25 -11.768 0.318 6.591 212 H LYS 26 H LYS 26 -13.827 3.676 1.820 213 HA LYS 26 HA LYS 26 -13.336 5.199 -0.659 214 HB2 LYS 26 2HB LYS 26 -15.841 5.316 -0.913 215 HB3 LYS 26 1HB LYS 26 -15.113 3.739 -1.170 216 HG2 LYS 26 2HG LYS 26 -15.750 3.224 1.247 217 HG3 LYS 26 1HG LYS 26 -16.759 4.672 1.163 218 HD2 LYS 26 2HD LYS 26 -18.070 2.672 0.638 219 HD3 LYS 26 1HD LYS 26 -17.947 3.724 -0.777 220 HE2 LYS 26 2HE LYS 26 -16.052 2.293 -1.584 221 HE3 LYS 26 1HE LYS 26 -16.360 1.203 -0.231 222 HZ1 LYS 26 3HZ LYS 26 -18.253 1.853 -2.424 223 HZ2 LYS 26 1HZ LYS 26 -18.601 0.846 -1.112 224 HZ3 LYS 26 2HZ LYS 26 -17.412 0.402 -2.229 225 H VAL 27 H VAL 27 -13.095 7.291 -0.409 226 HA VAL 27 HA VAL 27 -14.353 8.671 1.889 227 HB VAL 27 HB VAL 27 -12.322 10.026 2.183 228 HG11 VAL 27 1HG1 VAL 27 -10.864 8.317 3.165 229 HG12 VAL 27 2HG1 VAL 27 -11.751 7.060 2.300 230 HG13 VAL 27 3HG1 VAL 27 -12.559 8.014 3.544 231 HG21 VAL 27 3HG2 VAL 27 -10.219 9.383 1.053 232 HG22 VAL 27 1HG2 VAL 27 -11.440 9.967 -0.079 233 HG23 VAL 27 2HG2 VAL 27 -11.121 8.237 0.062 234 H LEU 28 H LEU 28 -14.048 11.185 1.575 235 HA LEU 28 HA LEU 28 -14.935 11.898 -1.124 236 HB2 LEU 28 2HB LEU 28 -14.891 13.422 1.482 237 HB3 LEU 28 1HB LEU 28 -15.324 14.170 -0.043 238 HG LEU 28 HG LEU 28 -16.812 11.831 1.178 239 HD11 LEU 28 1HD1 LEU 28 -17.554 14.762 1.163 240 HD12 LEU 28 2HD1 LEU 28 -17.002 13.853 2.572 241 HD13 LEU 28 3HD1 LEU 28 -18.529 13.435 1.796 242 HD21 LEU 28 3HD2 LEU 28 -17.011 11.986 -1.257 243 HD22 LEU 28 1HD2 LEU 28 -17.508 13.672 -1.118 244 HD23 LEU 28 2HD2 LEU 28 -18.533 12.392 -0.468 245 H GLU 29 H GLU 29 -14.032 13.772 -2.232 246 HA GLU 29 HA GLU 29 -11.245 13.732 -2.474 247 HB2 GLU 29 2HB GLU 29 -13.154 15.929 -3.307 248 HB3 GLU 29 1HB GLU 29 -11.496 15.761 -3.865 249 HG2 GLU 29 2HG GLU 29 -12.110 13.559 -4.841 250 HG3 GLU 29 1HG GLU 29 -13.785 13.877 -4.392 251 H GLY 30 H GLY 30 -9.791 14.381 -0.992 252 HA2 GLY 30 2HA GLY 30 -8.711 16.393 -0.061 253 HA3 GLY 30 1HA GLY 30 -10.303 16.925 0.453 254 H ASP 31 H ASP 31 -10.482 13.766 1.090 255 HA ASP 31 HA ASP 31 -9.598 14.090 3.857 256 HB2 ASP 31 2HB ASP 31 -11.183 11.898 2.494 257 HB3 ASP 31 1HB ASP 31 -10.735 11.878 4.198 258 H SER 32 H SER 32 -8.693 11.981 4.860 259 HA SER 32 HA SER 32 -6.498 10.974 3.154 260 HB2 SER 32 2HB SER 32 -6.577 11.367 6.160 261 HB3 SER 32 1HB SER 32 -5.249 10.608 5.284 262 HG SER 32 HG SER 32 -6.026 13.291 5.388 263 H VAL 33 H VAL 33 -5.740 8.788 3.635 264 HA VAL 33 HA VAL 33 -7.579 7.004 5.027 265 HB VAL 33 HB VAL 33 -8.428 7.163 2.676 266 HG11 VAL 33 1HG1 VAL 33 -6.303 7.522 1.529 267 HG12 VAL 33 2HG1 VAL 33 -7.134 6.115 0.866 268 HG13 VAL 33 3HG1 VAL 33 -5.773 5.896 1.969 269 HG21 VAL 33 3HG2 VAL 33 -7.323 4.476 3.504 270 HG22 VAL 33 1HG2 VAL 33 -8.593 4.733 2.307 271 HG23 VAL 33 2HG2 VAL 33 -8.870 5.171 3.992 272 H LYS 34 H LYS 34 -6.649 4.918 5.486 273 HA LYS 34 HA LYS 34 -3.814 4.603 4.747 274 HB2 LYS 34 2HB LYS 34 -3.427 3.581 7.008 275 HB3 LYS 34 1HB LYS 34 -3.751 5.307 7.021 276 HG2 LYS 34 2HG LYS 34 -6.022 4.923 7.758 277 HG3 LYS 34 1HG LYS 34 -5.795 3.177 7.633 278 HD2 LYS 34 2HD LYS 34 -4.136 3.224 9.396 279 HD3 LYS 34 1HD LYS 34 -4.212 4.986 9.468 280 HE2 LYS 34 2HE LYS 34 -5.485 3.916 11.286 281 HE3 LYS 34 1HE LYS 34 -6.511 4.889 10.232 282 HZ1 LYS 34 3HZ LYS 34 -6.215 1.939 10.066 283 HZ2 LYS 34 1HZ LYS 34 -7.257 2.891 9.135 284 HZ3 LYS 34 2HZ LYS 34 -7.507 2.743 10.799 285 H LEU 35 H LEU 35 -3.594 2.870 3.531 286 HA LEU 35 HA LEU 35 -5.324 0.525 3.875 287 HB2 LEU 35 2HB LEU 35 -3.172 1.120 1.826 288 HB3 LEU 35 1HB LEU 35 -4.225 -0.282 1.808 289 HG LEU 35 HG LEU 35 -5.141 2.586 1.507 290 HD11 LEU 35 1HD1 LEU 35 -5.552 2.039 -0.824 291 HD12 LEU 35 2HD1 LEU 35 -4.905 0.416 -0.578 292 HD13 LEU 35 3HD1 LEU 35 -3.847 1.819 -0.428 293 HD21 LEU 35 3HD2 LEU 35 -6.667 -0.008 1.250 294 HD22 LEU 35 1HD2 LEU 35 -7.300 1.598 0.882 295 HD23 LEU 35 2HD2 LEU 35 -6.847 1.186 2.535 296 H GLU 36 H GLU 36 -4.650 -1.070 5.259 297 HA GLU 36 HA GLU 36 -1.755 -1.252 5.822 298 HB2 GLU 36 2HB GLU 36 -2.266 -1.425 8.229 299 HB3 GLU 36 1HB GLU 36 -2.742 0.121 7.542 300 HG2 GLU 36 2HG GLU 36 -5.080 -0.819 7.346 301 HG3 GLU 36 1HG GLU 36 -4.519 -2.179 8.319 302 H CYS 37 H CYS 37 -0.898 -3.216 6.187 303 HA CYS 37 HA CYS 37 -2.569 -5.542 6.752 304 HB2 CYS 37 2HB CYS 37 -1.690 -6.836 4.859 305 HB3 CYS 37 1HB CYS 37 -2.573 -5.423 4.294 306 HG CYS 37 HG CYS 37 -0.510 -5.567 2.552 307 H GLN 38 H GLN 38 -1.121 -7.557 6.989 308 HA GLN 38 HA GLN 38 1.421 -6.786 8.290 309 HB2 GLN 38 2HB GLN 38 -0.406 -9.147 8.786 310 HB3 GLN 38 1HB GLN 38 1.177 -8.968 9.525 311 HG2 GLN 38 2HG GLN 38 -1.072 -6.990 9.866 312 HG3 GLN 38 1HG GLN 38 -0.748 -8.319 10.974 313 HE21 GLN 38 1HE2 GLN 38 2.160 -8.048 10.700 314 HE22 GLN 38 2HE2 GLN 38 2.584 -6.646 11.606 315 H ILE 39 H ILE 39 3.276 -7.464 7.376 316 HA ILE 39 HA ILE 39 3.248 -9.870 5.656 317 HB ILE 39 HB ILE 39 4.907 -7.370 5.221 318 HG12 ILE 39 2HG1 ILE 39 2.629 -8.531 3.586 319 HG13 ILE 39 1HG1 ILE 39 2.557 -7.065 4.560 320 HG21 ILE 39 1HG2 ILE 39 4.810 -9.955 3.657 321 HG22 ILE 39 2HG2 ILE 39 6.167 -9.348 4.608 322 HG23 ILE 39 3HG2 ILE 39 5.659 -8.497 3.150 323 HD11 ILE 39 3HD1 ILE 39 4.253 -7.501 2.111 324 HD12 ILE 39 1HD1 ILE 39 4.252 -6.042 3.103 325 HD13 ILE 39 2HD1 ILE 39 2.797 -6.513 2.228 326 H SER 40 H SER 40 4.475 -11.446 6.500 327 HA SER 40 HA SER 40 6.573 -10.771 8.440 328 HB2 SER 40 2HB SER 40 5.054 -12.510 9.153 329 HB3 SER 40 1HB SER 40 5.321 -13.423 7.669 330 HG SER 40 HG SER 40 7.145 -12.954 9.796 331 H ALA 41 H ALA 41 8.397 -10.160 7.388 332 HA ALA 41 HA ALA 41 9.693 -12.183 5.674 333 HB1 ALA 41 3HB ALA 41 10.590 -10.445 4.220 334 HB2 ALA 41 1HB ALA 41 9.738 -9.211 5.147 335 HB3 ALA 41 2HB ALA 41 8.828 -10.403 4.223 336 H ILE 42 H ILE 42 11.959 -12.327 5.847 337 HA ILE 42 HA ILE 42 13.332 -10.455 7.656 338 HB ILE 42 HB ILE 42 13.626 -13.469 7.844 339 HG12 ILE 42 2HG1 ILE 42 12.496 -11.478 9.841 340 HG13 ILE 42 1HG1 ILE 42 11.564 -12.658 8.924 341 HG21 ILE 42 1HG2 ILE 42 15.182 -13.008 9.692 342 HG22 ILE 42 2HG2 ILE 42 15.029 -11.278 9.387 343 HG23 ILE 42 3HG2 ILE 42 15.760 -12.326 8.171 344 HD11 ILE 42 3HD1 ILE 42 11.913 -13.390 11.209 345 HD12 ILE 42 1HD1 ILE 42 13.660 -13.289 10.993 346 HD13 ILE 42 2HD1 ILE 42 12.723 -14.469 10.075 347 HA PRO 43 HA PRO 43 14.677 -9.101 7.517 348 HB2 PRO 43 2HB PRO 43 15.893 -7.197 6.051 349 HB3 PRO 43 1HB PRO 43 16.823 -8.376 6.988 350 HG2 PRO 43 2HG PRO 43 16.178 -8.371 4.056 351 HG3 PRO 43 1HG PRO 43 17.728 -8.698 4.855 352 HD2 PRO 43 2HD PRO 43 16.054 -10.670 3.975 353 HD3 PRO 43 1HD PRO 43 17.151 -10.870 5.357 354 HA PRO 44 HA PRO 44 11.120 -6.884 5.845 355 HB2 PRO 44 2HB PRO 44 12.792 -4.392 5.874 356 HB3 PRO 44 1HB PRO 44 11.150 -4.648 6.479 357 HG2 PRO 44 2HG PRO 44 13.188 -4.563 8.177 358 HG3 PRO 44 1HG PRO 44 11.887 -5.749 8.399 359 HD2 PRO 44 2HD PRO 44 14.663 -6.150 7.372 360 HD3 PRO 44 1HD PRO 44 13.655 -7.233 8.352 361 HA PRO 45 HA PRO 45 12.223 -6.709 1.513 362 HB2 PRO 45 2HB PRO 45 9.801 -7.092 0.487 363 HB3 PRO 45 1HB PRO 45 10.562 -8.344 1.480 364 HG2 PRO 45 2HG PRO 45 8.417 -6.391 2.210 365 HG3 PRO 45 1HG PRO 45 8.589 -8.094 2.672 366 HD2 PRO 45 2HD PRO 45 9.348 -5.874 4.225 367 HD3 PRO 45 1HD PRO 45 9.835 -7.556 4.503 368 H LYS 46 H LYS 46 11.738 -5.505 -0.466 369 HA LYS 46 HA LYS 46 11.117 -2.709 -0.001 370 HB2 LYS 46 2HB LYS 46 12.955 -3.433 -1.527 371 HB3 LYS 46 1HB LYS 46 11.757 -4.146 -2.595 372 HG2 LYS 46 2HG LYS 46 12.453 -2.017 -3.466 373 HG3 LYS 46 1HG LYS 46 10.770 -1.919 -2.948 374 HD2 LYS 46 2HD LYS 46 11.456 -0.806 -0.879 375 HD3 LYS 46 1HD LYS 46 13.152 -0.947 -1.351 376 HE2 LYS 46 2HE LYS 46 12.763 0.498 -3.271 377 HE3 LYS 46 1HE LYS 46 11.045 0.585 -2.886 378 HZ1 LYS 46 3HZ LYS 46 12.195 2.547 -2.124 379 HZ2 LYS 46 1HZ LYS 46 13.263 1.615 -1.199 380 HZ3 LYS 46 2HZ LYS 46 11.623 1.670 -0.795 381 H LEU 47 H LEU 47 9.243 -1.658 -0.563 382 HA LEU 47 HA LEU 47 6.987 -3.396 -1.337 383 HB2 LEU 47 2HB LEU 47 6.954 -0.705 0.040 384 HB3 LEU 47 1HB LEU 47 5.571 -1.754 -0.218 385 HG LEU 47 HG LEU 47 7.956 -2.475 1.503 386 HD11 LEU 47 1HD1 LEU 47 6.490 -2.062 3.417 387 HD12 LEU 47 2HD1 LEU 47 5.237 -1.464 2.330 388 HD13 LEU 47 3HD1 LEU 47 6.764 -0.595 2.479 389 HD21 LEU 47 3HD2 LEU 47 6.813 -4.422 0.606 390 HD22 LEU 47 1HD2 LEU 47 5.259 -3.793 1.156 391 HD23 LEU 47 2HD2 LEU 47 6.486 -4.266 2.331 392 H PHE 48 H PHE 48 6.256 -3.204 -3.369 393 HA PHE 48 HA PHE 48 6.459 -0.587 -4.728 394 HB2 PHE 48 2HB PHE 48 6.218 -3.371 -5.899 395 HB3 PHE 48 1HB PHE 48 6.204 -1.885 -6.847 396 HD1 PHE 48 HD1 PHE 48 8.230 -0.528 -7.065 397 HD2 PHE 48 HD2 PHE 48 8.262 -4.237 -4.973 398 HE1 PHE 48 HE1 PHE 48 10.688 -0.561 -7.162 399 HE2 PHE 48 HE2 PHE 48 10.719 -4.274 -5.073 400 HZ PHE 48 HZ PHE 48 11.935 -2.435 -6.164 401 H TRP 49 H TRP 49 4.658 0.434 -5.448 402 HA TRP 49 HA TRP 49 2.068 -0.986 -5.297 403 HB2 TRP 49 2HB TRP 49 2.704 1.823 -4.360 404 HB3 TRP 49 1HB TRP 49 1.066 1.226 -4.581 405 HD1 TRP 49 HD1 TRP 49 4.177 0.573 -2.376 406 HE1 TRP 49 HE1 TRP 49 3.375 -0.426 -0.145 407 HE3 TRP 49 HE3 TRP 49 -0.785 0.047 -3.462 408 HZ2 TRP 49 HZ2 TRP 49 0.959 -1.312 1.009 409 HZ3 TRP 49 HZ3 TRP 49 -2.280 -0.885 -1.744 410 HH2 TRP 49 HH2 TRP 49 -1.425 -1.551 0.448 411 H LYS 50 H LYS 50 0.951 -0.936 -7.169 412 HA LYS 50 HA LYS 50 1.306 1.404 -8.952 413 HB2 LYS 50 2HB LYS 50 2.226 -0.600 -10.011 414 HB3 LYS 50 1HB LYS 50 0.714 -1.462 -9.756 415 HG2 LYS 50 2HG LYS 50 -0.407 0.208 -11.229 416 HG3 LYS 50 1HG LYS 50 1.171 0.914 -11.559 417 HD2 LYS 50 2HD LYS 50 0.282 -1.900 -12.217 418 HD3 LYS 50 1HD LYS 50 0.516 -0.582 -13.360 419 HE2 LYS 50 2HE LYS 50 2.477 -1.778 -13.608 420 HE3 LYS 50 1HE LYS 50 2.955 -0.556 -12.431 421 HZ1 LYS 50 3HZ LYS 50 2.205 -3.374 -11.853 422 HZ2 LYS 50 1HZ LYS 50 2.554 -2.215 -10.671 423 HZ3 LYS 50 2HZ LYS 50 3.753 -2.697 -11.754 424 H ARG 51 H ARG 51 -0.495 2.545 -9.363 425 HA ARG 51 HA ARG 51 -3.100 1.405 -8.553 426 HB2 ARG 51 2HB ARG 51 -2.488 3.333 -7.218 427 HB3 ARG 51 1HB ARG 51 -2.137 4.271 -8.664 428 HG2 ARG 51 2HG ARG 51 -4.597 3.935 -9.277 429 HG3 ARG 51 1HG ARG 51 -4.813 3.384 -7.613 430 HD2 ARG 51 2HD ARG 51 -5.360 5.716 -7.722 431 HD3 ARG 51 1HD ARG 51 -3.843 5.543 -6.840 432 HE ARG 51 HE ARG 51 -3.587 6.094 -9.680 433 HH11 ARG 51 1HH1 ARG 51 -3.653 7.370 -6.482 434 HH12 ARG 51 2HH1 ARG 51 -3.002 8.901 -6.962 435 HH21 ARG 51 1HH2 ARG 51 -2.731 8.030 -10.282 436 HH22 ARG 51 2HH2 ARG 51 -2.464 9.260 -9.094 437 H ASN 52 H ASN 52 -4.212 0.741 -10.343 438 HA ASN 52 HA ASN 52 -5.320 0.857 -12.344 439 HB2 ASN 52 2HB ASN 52 -6.316 2.736 -11.015 440 HB3 ASN 52 1HB ASN 52 -5.188 3.835 -11.795 441 HD21 ASN 52 1HD2 ASN 52 -7.019 4.988 -12.483 442 HD22 ASN 52 2HD2 ASN 52 -7.923 4.474 -13.855 443 H ASN 53 H ASN 53 -2.736 0.410 -12.804 444 HA ASN 53 HA ASN 53 -1.236 0.288 -14.497 445 HB2 ASN 53 2HB ASN 53 -2.946 2.365 -15.888 446 HB3 ASN 53 1HB ASN 53 -1.586 1.521 -16.622 447 HD21 ASN 53 1HD2 ASN 53 -2.851 0.580 -18.203 448 HD22 ASN 53 2HD2 ASN 53 -3.978 -0.681 -17.867 449 H GLU 54 H GLU 54 -1.648 2.927 -12.560 450 HA GLU 54 HA GLU 54 0.637 4.421 -13.643 451 HB2 GLU 54 2HB GLU 54 -1.142 5.135 -11.300 452 HB3 GLU 54 1HB GLU 54 0.031 6.185 -12.083 453 HG2 GLU 54 2HG GLU 54 -1.309 6.198 -14.117 454 HG3 GLU 54 1HG GLU 54 -2.467 5.093 -13.375 455 H MET 55 H MET 55 2.630 4.336 -12.737 456 HA MET 55 HA MET 55 3.162 2.675 -10.455 457 HB2 MET 55 2HB MET 55 4.779 2.968 -12.315 458 HB3 MET 55 1HB MET 55 4.962 4.658 -11.878 459 HG2 MET 55 2HG MET 55 6.801 3.812 -10.848 460 HG3 MET 55 1HG MET 55 5.639 3.614 -9.541 461 HE1 MET 55 3HE MET 55 4.945 -0.207 -9.522 462 HE2 MET 55 1HE MET 55 3.948 1.028 -10.293 463 HE3 MET 55 2HE MET 55 4.684 1.343 -8.722 464 H VAL 56 H VAL 56 2.722 3.311 -8.410 465 HA VAL 56 HA VAL 56 2.015 5.995 -7.790 466 HB VAL 56 HB VAL 56 2.542 3.696 -5.889 467 HG11 VAL 56 1HG1 VAL 56 1.036 6.283 -5.451 468 HG12 VAL 56 2HG1 VAL 56 2.596 5.857 -4.747 469 HG13 VAL 56 3HG1 VAL 56 1.150 4.951 -4.302 470 HG21 VAL 56 3HG2 VAL 56 0.114 3.364 -5.920 471 HG22 VAL 56 1HG2 VAL 56 0.805 3.161 -7.529 472 HG23 VAL 56 2HG2 VAL 56 -0.056 4.646 -7.119 473 H GLN 57 H GLN 57 3.247 7.646 -7.178 474 HA GLN 57 HA GLN 57 5.964 7.135 -6.187 475 HB2 GLN 57 2HB GLN 57 6.200 9.683 -6.597 476 HB3 GLN 57 1HB GLN 57 6.188 8.596 -7.973 477 HG2 GLN 57 2HG GLN 57 4.841 10.347 -8.661 478 HG3 GLN 57 1HG GLN 57 3.678 9.137 -8.137 479 HE21 GLN 57 1HE2 GLN 57 2.404 9.559 -6.342 480 HE22 GLN 57 2HE2 GLN 57 2.321 11.115 -5.608 481 H PHE 58 H PHE 58 6.691 7.923 -4.225 482 HA PHE 58 HA PHE 58 4.532 8.636 -2.335 483 HB2 PHE 58 2HB PHE 58 7.192 7.330 -1.707 484 HB3 PHE 58 1HB PHE 58 5.815 7.510 -0.624 485 HD1 PHE 58 HD1 PHE 58 3.709 6.231 -1.101 486 HD2 PHE 58 HD2 PHE 58 7.349 5.490 -3.191 487 HE1 PHE 58 HE1 PHE 58 2.846 4.047 -1.831 488 HE2 PHE 58 HE2 PHE 58 6.487 3.303 -3.917 489 HZ PHE 58 HZ PHE 58 4.231 2.580 -3.241 490 H ASN 59 H ASN 59 6.649 10.302 -3.991 491 HA ASN 59 HA ASN 59 8.027 11.727 -1.846 492 HB2 ASN 59 2HB ASN 59 9.096 12.966 -3.743 493 HB3 ASN 59 1HB ASN 59 9.334 11.222 -3.808 494 HD21 ASN 59 1HD2 ASN 59 7.661 13.932 -5.226 495 HD22 ASN 59 2HD2 ASN 59 7.193 13.124 -6.680 496 H THR 60 H THR 60 5.206 12.037 -1.765 497 HA THR 60 HA THR 60 4.950 14.927 -2.226 498 HB THR 60 HB THR 60 3.898 14.197 -4.203 499 HG1 THR 60 HG1 THR 60 2.348 15.522 -3.600 500 HG21 THR 60 3HG2 THR 60 2.420 12.109 -2.591 501 HG22 THR 60 1HG2 THR 60 3.785 11.801 -3.665 502 HG23 THR 60 2HG2 THR 60 2.260 12.391 -4.325 503 H ASP 61 H ASP 61 3.027 15.870 -1.160 504 HA ASP 61 HA ASP 61 2.742 14.957 1.524 505 HB2 ASP 61 2HB ASP 61 2.644 17.347 0.840 506 HB3 ASP 61 1HB ASP 61 1.115 17.034 0.026 507 H ARG 62 H ARG 62 0.959 14.436 -1.409 508 HA ARG 62 HA ARG 62 -1.454 13.552 -0.081 509 HB2 ARG 62 2HB ARG 62 -0.621 13.598 -2.981 510 HB3 ARG 62 1HB ARG 62 -2.151 12.924 -2.438 511 HG2 ARG 62 2HG ARG 62 -2.753 15.105 -1.464 512 HG3 ARG 62 1HG ARG 62 -1.246 15.777 -2.089 513 HD2 ARG 62 2HD ARG 62 -1.950 15.604 -4.311 514 HD3 ARG 62 1HD ARG 62 -3.198 14.417 -3.923 515 HE ARG 62 HE ARG 62 -4.096 16.532 -2.600 516 HH11 ARG 62 1HH1 ARG 62 -2.829 16.373 -5.796 517 HH12 ARG 62 2HH1 ARG 62 -3.890 17.602 -6.385 518 HH21 ARG 62 1HH2 ARG 62 -5.421 18.105 -3.349 519 HH22 ARG 62 2HH2 ARG 62 -5.344 18.576 -5.017 520 H ILE 63 H ILE 63 1.485 12.021 -1.054 521 HA ILE 63 HA ILE 63 0.258 9.394 -0.513 522 HB ILE 63 HB ILE 63 2.242 9.877 -2.752 523 HG12 ILE 63 2HG1 ILE 63 -0.016 10.725 -3.314 524 HG13 ILE 63 1HG1 ILE 63 0.425 9.332 -4.294 525 HG21 ILE 63 1HG2 ILE 63 1.873 7.524 -3.314 526 HG22 ILE 63 2HG2 ILE 63 0.803 7.353 -1.922 527 HG23 ILE 63 3HG2 ILE 63 2.517 7.699 -1.681 528 HD11 ILE 63 3HD1 ILE 63 -1.420 9.315 -1.910 529 HD12 ILE 63 1HD1 ILE 63 -0.963 7.902 -2.865 530 HD13 ILE 63 2HD1 ILE 63 -1.889 9.205 -3.607 531 H SER 64 H SER 64 1.306 8.326 1.025 532 HA SER 64 HA SER 64 4.215 8.430 1.203 533 HB2 SER 64 2HB SER 64 4.159 8.867 3.664 534 HB3 SER 64 1HB SER 64 3.618 10.238 2.701 535 HG SER 64 HG SER 64 1.433 8.976 3.159 536 H LEU 65 H LEU 65 5.138 6.667 2.333 537 HA LEU 65 HA LEU 65 3.301 4.488 3.086 538 HB2 LEU 65 2HB LEU 65 3.886 4.128 0.754 539 HB3 LEU 65 1HB LEU 65 5.591 4.290 1.123 540 HG LEU 65 HG LEU 65 5.437 2.211 2.514 541 HD11 LEU 65 1HD1 LEU 65 3.072 2.245 3.044 542 HD12 LEU 65 2HD1 LEU 65 3.482 0.748 2.209 543 HD13 LEU 65 3HD1 LEU 65 2.660 2.045 1.341 544 HD21 LEU 65 3HD2 LEU 65 5.374 0.673 0.625 545 HD22 LEU 65 1HD2 LEU 65 6.250 2.145 0.207 546 HD23 LEU 65 2HD2 LEU 65 4.600 1.905 -0.371 547 H TYR 66 H TYR 66 3.954 3.358 4.875 548 HA TYR 66 HA TYR 66 6.800 3.346 5.569 549 HB2 TYR 66 2HB TYR 66 6.571 4.200 7.730 550 HB3 TYR 66 1HB TYR 66 5.509 5.234 6.787 551 HD1 TYR 66 HD2 TYR 66 3.023 4.948 6.964 552 HD2 TYR 66 HD1 TYR 66 5.725 2.809 9.473 553 HE1 TYR 66 HE2 TYR 66 1.186 4.446 8.520 554 HE2 TYR 66 HE1 TYR 66 3.895 2.306 11.031 555 HH TYR 66 HH TYR 66 0.669 2.666 10.258 556 H GLN 67 H GLN 67 7.412 1.699 7.082 557 HA GLN 67 HA GLN 67 5.437 -0.467 7.413 558 HB2 GLN 67 2HB GLN 67 7.384 -2.066 7.195 559 HB3 GLN 67 1HB GLN 67 6.919 -1.238 5.715 560 HG2 GLN 67 2HG GLN 67 8.783 0.265 5.894 561 HG3 GLN 67 1HG GLN 67 9.198 -0.367 7.487 562 HE21 GLN 67 1HE2 GLN 67 9.219 -0.993 4.066 563 HE22 GLN 67 2HE2 GLN 67 10.320 -2.322 4.115 564 H ASP 68 H ASP 68 5.113 -1.055 9.447 565 HA ASP 68 HA ASP 68 6.576 0.153 11.597 566 HB2 ASP 68 2HB ASP 68 4.091 -0.287 11.567 567 HB3 ASP 68 1HB ASP 68 4.450 -2.000 11.748 568 H ASN 69 H ASN 69 7.519 -1.065 13.399 569 HA ASN 69 HA ASN 69 9.545 -2.826 12.639 570 HB2 ASN 69 2HB ASN 69 8.347 -2.551 15.406 571 HB3 ASN 69 1HB ASN 69 9.947 -3.177 15.017 572 HD21 ASN 69 1HD2 ASN 69 7.991 -0.357 15.376 573 HD22 ASN 69 2HD2 ASN 69 9.270 0.795 15.232 574 H THR 70 H THR 70 6.280 -3.503 13.694 575 HA THR 70 HA THR 70 6.729 -6.305 14.195 576 HB THR 70 HB THR 70 4.948 -5.024 15.361 577 HG1 THR 70 HG1 THR 70 4.730 -7.281 15.254 578 HG21 THR 70 3HG2 THR 70 3.539 -5.085 12.683 579 HG22 THR 70 1HG2 THR 70 4.175 -3.642 13.479 580 HG23 THR 70 2HG2 THR 70 2.842 -4.537 14.207 581 H GLY 71 H GLY 71 6.821 -4.755 11.338 582 HA2 GLY 71 2HA GLY 71 6.860 -5.685 9.198 583 HA3 GLY 71 1HA GLY 71 6.073 -7.126 9.824 584 H ARG 72 H ARG 72 4.773 -3.958 10.452 585 HA ARG 72 HA ARG 72 2.361 -4.696 8.963 586 HB2 ARG 72 2HB ARG 72 2.224 -4.016 11.362 587 HB3 ARG 72 1HB ARG 72 2.780 -2.413 10.906 588 HG2 ARG 72 2HG ARG 72 0.791 -2.051 9.579 589 HG3 ARG 72 1HG ARG 72 0.253 -3.705 9.878 590 HD2 ARG 72 2HD ARG 72 0.257 -3.138 12.338 591 HD3 ARG 72 1HD ARG 72 0.513 -1.458 11.870 592 HE ARG 72 HE ARG 72 -1.660 -1.377 11.021 593 HH11 ARG 72 1HH1 ARG 72 -0.897 -4.513 12.237 594 HH12 ARG 72 2HH1 ARG 72 -2.554 -4.994 12.336 595 HH21 ARG 72 1HH2 ARG 72 -3.779 -2.027 11.123 596 HH22 ARG 72 2HH2 ARG 72 -4.160 -3.626 11.666 597 H VAL 73 H VAL 73 2.123 -3.941 6.948 598 HA VAL 73 HA VAL 73 3.570 -1.538 6.099 599 HB VAL 73 HB VAL 73 1.990 -3.559 4.485 600 HG11 VAL 73 1HG1 VAL 73 3.693 -1.244 3.546 601 HG12 VAL 73 2HG1 VAL 73 1.940 -1.374 3.401 602 HG13 VAL 73 3HG1 VAL 73 2.983 -2.480 2.506 603 HG21 VAL 73 3HG2 VAL 73 4.036 -4.493 5.427 604 HG22 VAL 73 1HG2 VAL 73 4.971 -3.147 4.776 605 HG23 VAL 73 2HG2 VAL 73 4.197 -4.292 3.682 606 H THR 74 H THR 74 2.583 0.394 5.776 607 HA THR 74 HA THR 74 -0.347 0.457 5.482 608 HB THR 74 HB THR 74 1.190 2.200 7.429 609 HG1 THR 74 HG1 THR 74 0.296 -0.225 7.770 610 HG21 THR 74 3HG2 THR 74 -1.014 3.062 8.085 611 HG22 THR 74 1HG2 THR 74 -1.777 2.095 6.823 612 HG23 THR 74 2HG2 THR 74 -0.680 3.407 6.390 613 H LEU 75 H LEU 75 -0.804 1.510 3.671 614 HA LEU 75 HA LEU 75 0.966 3.587 2.632 615 HB2 LEU 75 2HB LEU 75 0.091 1.862 1.110 616 HB3 LEU 75 1HB LEU 75 -1.548 2.367 1.478 617 HG LEU 75 HG LEU 75 -1.090 4.575 0.451 618 HD11 LEU 75 1HD1 LEU 75 0.940 4.945 -0.837 619 HD12 LEU 75 2HD1 LEU 75 1.571 3.379 -0.327 620 HD13 LEU 75 3HD1 LEU 75 1.326 4.659 0.860 621 HD21 LEU 75 3HD2 LEU 75 -0.464 2.239 -1.359 622 HD22 LEU 75 1HD2 LEU 75 -1.057 3.823 -1.865 623 HD23 LEU 75 2HD2 LEU 75 -2.077 2.772 -0.883 624 H LEU 76 H LEU 76 0.688 5.580 3.410 625 HA LEU 76 HA LEU 76 -1.947 6.483 4.326 626 HB2 LEU 76 2HB LEU 76 0.764 7.810 4.541 627 HB3 LEU 76 1HB LEU 76 -0.720 8.406 5.262 628 HG LEU 76 HG LEU 76 0.630 5.794 5.984 629 HD11 LEU 76 1HD1 LEU 76 1.951 7.747 6.665 630 HD12 LEU 76 2HD1 LEU 76 1.270 6.903 8.054 631 HD13 LEU 76 3HD1 LEU 76 0.542 8.410 7.496 632 HD21 LEU 76 3HD2 LEU 76 -0.942 5.752 7.856 633 HD22 LEU 76 1HD2 LEU 76 -1.792 5.737 6.311 634 HD23 LEU 76 2HD2 LEU 76 -1.708 7.224 7.256 635 H ILE 77 H ILE 77 -3.181 7.217 2.704 636 HA ILE 77 HA ILE 77 -1.997 9.018 0.684 637 HB ILE 77 HB ILE 77 -4.615 7.496 0.602 638 HG12 ILE 77 2HG1 ILE 77 -2.040 7.066 -0.937 639 HG13 ILE 77 1HG1 ILE 77 -2.599 6.076 0.405 640 HG21 ILE 77 1HG2 ILE 77 -4.787 9.595 -0.624 641 HG22 ILE 77 2HG2 ILE 77 -4.749 8.230 -1.741 642 HG23 ILE 77 3HG2 ILE 77 -3.308 9.218 -1.507 643 HD11 ILE 77 3HD1 ILE 77 -3.959 6.384 -2.262 644 HD12 ILE 77 1HD1 ILE 77 -4.554 5.414 -0.914 645 HD13 ILE 77 2HD1 ILE 77 -3.036 4.988 -1.704 646 H LYS 78 H LYS 78 -2.338 11.119 0.972 647 HA LYS 78 HA LYS 78 -4.609 12.014 2.623 648 HB2 LYS 78 2HB LYS 78 -1.961 13.399 2.146 649 HB3 LYS 78 1HB LYS 78 -3.229 13.930 3.243 650 HG2 LYS 78 2HG LYS 78 -2.886 11.952 4.626 651 HG3 LYS 78 1HG LYS 78 -1.648 11.375 3.506 652 HD2 LYS 78 2HD LYS 78 -0.304 13.385 3.970 653 HD3 LYS 78 1HD LYS 78 -1.533 13.933 5.112 654 HE2 LYS 78 2HE LYS 78 -1.146 11.928 6.476 655 HE3 LYS 78 1HE LYS 78 0.091 11.395 5.336 656 HZ1 LYS 78 3HZ LYS 78 1.347 13.410 5.847 657 HZ2 LYS 78 1HZ LYS 78 1.089 12.470 7.229 658 HZ3 LYS 78 2HZ LYS 78 0.174 13.868 6.977 659 H ASP 79 H ASP 79 -5.761 13.900 2.024 660 HA ASP 79 HA ASP 79 -6.714 15.455 0.649 661 HB2 ASP 79 2HB ASP 79 -4.226 16.225 0.977 662 HB3 ASP 79 1HB ASP 79 -4.057 15.803 -0.720 663 H VAL 80 H VAL 80 -6.834 12.732 -0.260 664 HA VAL 80 HA VAL 80 -6.066 12.509 -2.998 665 HB VAL 80 HB VAL 80 -6.276 10.593 -1.381 666 HG11 VAL 80 1HG1 VAL 80 -9.220 10.881 -1.940 667 HG12 VAL 80 2HG1 VAL 80 -8.430 11.204 -0.395 668 HG13 VAL 80 3HG1 VAL 80 -8.454 9.566 -1.052 669 HG21 VAL 80 3HG2 VAL 80 -7.813 10.299 -3.962 670 HG22 VAL 80 1HG2 VAL 80 -7.083 8.991 -3.034 671 HG23 VAL 80 2HG2 VAL 80 -6.060 10.215 -3.788 672 H ASN 81 H ASN 81 -7.270 12.652 -4.873 673 HA ASN 81 HA ASN 81 -10.107 13.447 -4.631 674 HB2 ASN 81 2HB ASN 81 -9.719 14.761 -6.785 675 HB3 ASN 81 1HB ASN 81 -9.005 15.422 -5.323 676 HD21 ASN 81 1HD2 ASN 81 -7.721 12.728 -7.227 677 HD22 ASN 81 2HD2 ASN 81 -6.270 13.532 -7.679 678 H LYS 82 H LYS 82 -11.204 13.187 -6.972 679 HA LYS 82 HA LYS 82 -11.581 10.519 -7.480 680 HB2 LYS 82 2HB LYS 82 -11.827 12.864 -9.353 681 HB3 LYS 82 1HB LYS 82 -12.327 11.245 -9.813 682 HG2 LYS 82 2HG LYS 82 -13.423 12.739 -7.432 683 HG3 LYS 82 1HG LYS 82 -14.169 12.729 -9.032 684 HD2 LYS 82 2HD LYS 82 -14.090 10.136 -8.786 685 HD3 LYS 82 1HD LYS 82 -13.875 10.474 -7.061 686 HE2 LYS 82 2HE LYS 82 -15.959 11.683 -6.992 687 HE3 LYS 82 1HE LYS 82 -16.156 11.529 -8.738 688 HZ1 LYS 82 3HZ LYS 82 -16.399 9.173 -8.503 689 HZ2 LYS 82 1HZ LYS 82 -17.498 9.930 -7.471 690 HZ3 LYS 82 2HZ LYS 82 -16.086 9.237 -6.844 691 H LYS 83 H LYS 83 -9.230 12.606 -9.143 692 HA LYS 83 HA LYS 83 -8.296 10.880 -11.094 693 HB2 LYS 83 2HB LYS 83 -6.810 12.981 -9.505 694 HB3 LYS 83 1HB LYS 83 -6.128 12.175 -10.911 695 HG2 LYS 83 2HG LYS 83 -8.666 13.808 -10.943 696 HG3 LYS 83 1HG LYS 83 -7.072 14.407 -11.414 697 HD2 LYS 83 2HD LYS 83 -6.968 12.631 -13.144 698 HD3 LYS 83 1HD LYS 83 -8.609 12.151 -12.706 699 HE2 LYS 83 2HE LYS 83 -9.460 14.319 -13.374 700 HE3 LYS 83 1HE LYS 83 -7.824 14.895 -13.695 701 HZ1 LYS 83 3HZ LYS 83 -9.173 12.678 -15.139 702 HZ2 LYS 83 1HZ LYS 83 -7.622 13.271 -15.460 703 HZ3 LYS 83 2HZ LYS 83 -8.977 14.250 -15.726 704 H ASP 84 H ASP 84 -7.617 10.787 -7.670 705 HA ASP 84 HA ASP 84 -5.369 8.968 -8.063 706 HB2 ASP 84 2HB ASP 84 -6.350 10.435 -5.607 707 HB3 ASP 84 1HB ASP 84 -5.031 9.259 -5.591 708 H ALA 85 H ALA 85 -8.628 8.536 -7.804 709 HA ALA 85 HA ALA 85 -8.559 6.244 -6.021 710 HB1 ALA 85 3HB ALA 85 -10.894 5.913 -6.684 711 HB2 ALA 85 1HB ALA 85 -10.728 7.165 -7.916 712 HB3 ALA 85 2HB ALA 85 -10.601 7.585 -6.208 713 H GLY 86 H GLY 86 -8.567 4.079 -6.620 714 HA2 GLY 86 2HA GLY 86 -8.877 3.041 -9.190 715 HA3 GLY 86 1HA GLY 86 -7.171 3.415 -9.009 716 H TRP 87 H TRP 87 -7.352 0.941 -9.458 717 HA TRP 87 HA TRP 87 -7.439 -0.524 -6.910 718 HB2 TRP 87 2HB TRP 87 -7.260 -1.371 -9.796 719 HB3 TRP 87 1HB TRP 87 -6.798 -2.484 -8.515 720 HD1 TRP 87 HD1 TRP 87 -9.902 -0.525 -9.740 721 HE1 TRP 87 HE1 TRP 87 -11.999 -1.803 -8.976 722 HE3 TRP 87 HE3 TRP 87 -7.653 -4.169 -6.952 723 HZ2 TRP 87 HZ2 TRP 87 -12.615 -4.074 -7.405 724 HZ3 TRP 87 HZ3 TRP 87 -9.059 -5.859 -5.855 725 HH2 TRP 87 HH2 TRP 87 -11.490 -5.813 -6.076 726 H TYR 88 H TYR 88 -5.654 -0.843 -5.749 727 HA TYR 88 HA TYR 88 -3.027 -0.209 -6.883 728 HB2 TYR 88 2HB TYR 88 -3.990 -0.566 -4.036 729 HB3 TYR 88 1HB TYR 88 -2.295 -0.351 -4.454 730 HD1 TYR 88 HD1 TYR 88 -5.632 1.303 -4.780 731 HD2 TYR 88 HD2 TYR 88 -1.403 1.801 -4.641 732 HE1 TYR 88 HE1 TYR 88 -5.925 3.743 -4.702 733 HE2 TYR 88 HE2 TYR 88 -1.688 4.241 -4.561 734 HH TYR 88 HH TYR 88 -4.709 5.733 -3.998 735 H THR 89 H THR 89 -1.517 -1.710 -7.299 736 HA THR 89 HA THR 89 -1.855 -4.447 -6.241 737 HB THR 89 HB THR 89 -0.271 -3.522 -8.660 738 HG1 THR 89 HG1 THR 89 -2.656 -3.716 -8.792 739 HG21 THR 89 3HG2 THR 89 -0.663 -6.317 -7.565 740 HG22 THR 89 1HG2 THR 89 0.847 -5.405 -7.548 741 HG23 THR 89 2HG2 THR 89 0.137 -5.909 -9.082 742 H VAL 90 H VAL 90 -0.643 -4.781 -4.487 743 HA VAL 90 HA VAL 90 1.885 -3.317 -4.167 744 HB VAL 90 HB VAL 90 0.376 -3.043 -2.311 745 HG11 VAL 90 1HG1 VAL 90 0.392 -6.048 -2.006 746 HG12 VAL 90 2HG1 VAL 90 -0.957 -5.081 -2.603 747 HG13 VAL 90 3HG1 VAL 90 -0.411 -4.892 -0.938 748 HG21 VAL 90 3HG2 VAL 90 2.652 -4.892 -1.568 749 HG22 VAL 90 1HG2 VAL 90 1.791 -3.821 -0.460 750 HG23 VAL 90 2HG2 VAL 90 2.752 -3.143 -1.773 751 H SER 91 H SER 91 3.812 -4.283 -4.244 752 HA SER 91 HA SER 91 3.970 -7.233 -4.088 753 HB2 SER 91 2HB SER 91 5.514 -5.424 -5.973 754 HB3 SER 91 1HB SER 91 5.772 -7.160 -5.795 755 HG SER 91 HG SER 91 3.691 -7.517 -6.571 756 H ALA 92 H ALA 92 5.196 -7.863 -2.426 757 HA ALA 92 HA ALA 92 7.313 -6.072 -1.413 758 HB1 ALA 92 3HB ALA 92 5.565 -6.766 0.190 759 HB2 ALA 92 1HB ALA 92 7.172 -7.318 0.667 760 HB3 ALA 92 2HB ALA 92 6.031 -8.450 -0.058 761 H VAL 93 H VAL 93 9.355 -6.558 -2.042 762 HA VAL 93 HA VAL 93 9.920 -9.351 -2.817 763 HB VAL 93 HB VAL 93 9.954 -7.867 -4.736 764 HG11 VAL 93 1HG1 VAL 93 12.122 -6.335 -3.292 765 HG12 VAL 93 2HG1 VAL 93 10.487 -5.764 -3.623 766 HG13 VAL 93 3HG1 VAL 93 11.601 -6.065 -4.957 767 HG21 VAL 93 3HG2 VAL 93 11.510 -9.767 -4.687 768 HG22 VAL 93 1HG2 VAL 93 12.752 -8.732 -3.981 769 HG23 VAL 93 2HG2 VAL 93 12.162 -8.415 -5.613 770 H ASN 94 H ASN 94 11.106 -10.378 -1.406 771 HA ASN 94 HA ASN 94 13.536 -9.108 -0.295 772 HB2 ASN 94 2HB ASN 94 11.914 -9.974 1.391 773 HB3 ASN 94 1HB ASN 94 12.029 -11.569 0.668 774 HD21 ASN 94 1HD2 ASN 94 12.625 -10.636 3.384 775 HD22 ASN 94 2HD2 ASN 94 14.251 -11.117 3.690 776 H GLU 95 H GLU 95 15.548 -10.405 -0.455 777 HA GLU 95 HA GLU 95 15.862 -11.722 -2.925 778 HB2 GLU 95 2HB GLU 95 18.096 -12.298 -2.229 779 HB3 GLU 95 1HB GLU 95 17.739 -10.672 -1.666 780 HG2 GLU 95 2HG GLU 95 17.391 -11.483 0.586 781 HG3 GLU 95 1HG GLU 95 17.597 -13.150 0.048 782 H ALA 96 H ALA 96 14.949 -12.905 0.217 783 HA ALA 96 HA ALA 96 15.252 -15.693 -0.300 784 HB1 ALA 96 3HB ALA 96 13.896 -16.015 1.699 785 HB2 ALA 96 1HB ALA 96 13.453 -14.307 1.689 786 HB3 ALA 96 2HB ALA 96 15.128 -14.783 1.969 787 H GLY 97 H GLY 97 12.761 -13.378 -1.120 788 HA2 GLY 97 2HA GLY 97 11.428 -14.953 -2.962 789 HA3 GLY 97 1HA GLY 97 10.613 -15.243 -1.434 790 H VAL 98 H VAL 98 9.095 -14.225 -3.381 791 HA VAL 98 HA VAL 98 8.632 -11.442 -2.546 792 HB VAL 98 HB VAL 98 9.863 -11.282 -4.651 793 HG11 VAL 98 1HG1 VAL 98 9.319 -13.495 -5.551 794 HG12 VAL 98 2HG1 VAL 98 9.009 -12.222 -6.729 795 HG13 VAL 98 3HG1 VAL 98 7.665 -12.966 -5.861 796 HG21 VAL 98 3HG2 VAL 98 8.120 -9.619 -4.234 797 HG22 VAL 98 1HG2 VAL 98 6.929 -10.649 -5.028 798 HG23 VAL 98 2HG2 VAL 98 8.261 -9.960 -5.958 799 H THR 99 H THR 99 6.471 -10.771 -2.586 800 HA THR 99 HA THR 99 4.424 -12.678 -3.487 801 HB THR 99 HB THR 99 4.690 -13.237 -1.145 802 HG1 THR 99 HG1 THR 99 2.506 -12.673 -0.451 803 HG21 THR 99 3HG2 THR 99 4.144 -10.316 -0.558 804 HG22 THR 99 1HG2 THR 99 5.686 -11.146 -0.335 805 HG23 THR 99 2HG2 THR 99 4.289 -11.599 0.642 806 H THR 100 H THR 100 2.450 -11.756 -4.072 807 HA THR 100 HA THR 100 2.334 -8.798 -4.085 808 HB THR 100 HB THR 100 1.761 -10.630 -6.434 809 HG1 THR 100 HG1 THR 100 3.677 -10.013 -7.140 810 HG21 THR 100 3HG2 THR 100 0.150 -8.794 -6.401 811 HG22 THR 100 1HG2 THR 100 1.317 -8.562 -7.705 812 HG23 THR 100 2HG2 THR 100 1.459 -7.627 -6.215 813 H CYS 101 H CYS 101 0.315 -7.858 -3.911 814 HA CYS 101 HA CYS 101 -2.086 -9.546 -3.931 815 HB2 CYS 101 2HB CYS 101 -1.428 -9.507 -1.580 816 HB3 CYS 101 1HB CYS 101 -1.317 -7.751 -1.614 817 HG CYS 101 HG CYS 101 -4.019 -7.290 -1.867 818 H ASN 102 H ASN 102 -4.103 -8.270 -3.952 819 HA ASN 102 HA ASN 102 -3.723 -5.666 -5.300 820 HB2 ASN 102 2HB ASN 102 -5.983 -7.663 -5.598 821 HB3 ASN 102 1HB ASN 102 -5.895 -6.104 -6.415 822 HD21 ASN 102 1HD2 ASN 102 -4.329 -5.805 -8.042 823 HD22 ASN 102 2HD2 ASN 102 -3.576 -7.150 -8.818 824 H THR 103 H THR 103 -5.149 -3.951 -4.854 825 HA THR 103 HA THR 103 -6.977 -4.180 -2.572 826 HB THR 103 HB THR 103 -4.767 -2.098 -2.678 827 HG1 THR 103 HG1 THR 103 -5.019 -4.574 -1.397 828 HG21 THR 103 3HG2 THR 103 -6.825 -1.252 -1.632 829 HG22 THR 103 1HG2 THR 103 -5.550 -1.470 -0.432 830 HG23 THR 103 2HG2 THR 103 -6.858 -2.648 -0.552 831 H ARG 104 H ARG 104 -8.608 -2.536 -2.521 832 HA ARG 104 HA ARG 104 -8.756 -0.891 -4.977 833 HB2 ARG 104 2HB ARG 104 -10.484 -2.583 -4.978 834 HB3 ARG 104 1HB ARG 104 -10.989 -2.136 -3.354 835 HG2 ARG 104 2HG ARG 104 -11.741 0.039 -4.169 836 HG3 ARG 104 1HG ARG 104 -11.203 -0.374 -5.796 837 HD2 ARG 104 2HD ARG 104 -12.840 -2.132 -5.954 838 HD3 ARG 104 1HD ARG 104 -13.288 -1.932 -4.260 839 HE ARG 104 HE ARG 104 -13.870 0.468 -5.139 840 HH11 ARG 104 1HH1 ARG 104 -14.481 -2.541 -6.698 841 HH12 ARG 104 2HH1 ARG 104 -15.902 -1.965 -7.487 842 HH21 ARG 104 1HH2 ARG 104 -15.657 1.205 -6.153 843 HH22 ARG 104 2HH2 ARG 104 -16.580 0.146 -7.169 844 H LEU 105 H LEU 105 -9.215 1.273 -4.838 845 HA LEU 105 HA LEU 105 -9.947 2.406 -2.213 846 HB2 LEU 105 2HB LEU 105 -7.527 2.720 -2.546 847 HB3 LEU 105 1HB LEU 105 -7.834 3.510 -4.082 848 HG LEU 105 HG LEU 105 -9.094 5.294 -2.825 849 HD11 LEU 105 1HD1 LEU 105 -9.589 3.990 -0.810 850 HD12 LEU 105 2HD1 LEU 105 -8.763 5.499 -0.432 851 HD13 LEU 105 3HD1 LEU 105 -7.872 3.977 -0.399 852 HD21 LEU 105 3HD2 LEU 105 -6.823 5.671 -3.579 853 HD22 LEU 105 1HD2 LEU 105 -6.184 4.900 -2.128 854 HD23 LEU 105 2HD2 LEU 105 -7.070 6.420 -2.002 855 H ASP 106 H ASP 106 -11.733 3.627 -2.370 856 HA ASP 106 HA ASP 106 -12.510 4.694 -5.015 857 HB2 ASP 106 2HB ASP 106 -14.221 3.951 -2.638 858 HB3 ASP 106 1HB ASP 106 -14.832 4.645 -4.132 859 H VAL 107 H VAL 107 -13.090 6.821 -5.247 860 HA VAL 107 HA VAL 107 -13.189 8.524 -2.840 861 HB VAL 107 HB VAL 107 -11.823 9.275 -5.443 862 HG11 VAL 107 1HG1 VAL 107 -12.168 10.837 -2.878 863 HG12 VAL 107 2HG1 VAL 107 -12.920 11.193 -4.434 864 HG13 VAL 107 3HG1 VAL 107 -11.172 11.333 -4.248 865 HG21 VAL 107 3HG2 VAL 107 -10.477 7.712 -4.122 866 HG22 VAL 107 1HG2 VAL 107 -10.637 8.752 -2.707 867 HG23 VAL 107 2HG2 VAL 107 -9.752 9.319 -4.126 868 H THR 108 H THR 108 -14.751 10.072 -2.817 869 HA THR 108 HA THR 108 -16.542 10.241 -5.168 870 HB THR 108 HB THR 108 -17.191 10.456 -2.224 871 HG1 THR 108 HG1 THR 108 -18.351 8.709 -4.135 872 HG21 THR 108 3HG2 THR 108 -19.535 10.802 -2.881 873 HG22 THR 108 1HG2 THR 108 -19.047 10.900 -4.572 874 HG23 THR 108 2HG2 THR 108 -18.511 12.129 -3.426 875 H ALA 109 H ALA 109 -17.370 12.271 -5.758 876 HA ALA 109 HA ALA 109 -15.511 14.420 -5.328 877 HB1 ALA 109 3HB ALA 109 -18.085 14.381 -6.910 878 HB2 ALA 109 1HB ALA 109 -16.480 14.003 -7.534 879 HB3 ALA 109 2HB ALA 109 -16.847 15.635 -6.979 880 H ARG 110 H ARG 110 -15.634 16.032 -3.876 881 HA ARG 110 HA ARG 110 -17.812 16.207 -2.041 882 HB2 ARG 110 2HB ARG 110 -15.358 17.897 -2.471 883 HB3 ARG 110 1HB ARG 110 -16.599 18.368 -1.319 884 HG2 ARG 110 2HG ARG 110 -16.281 16.093 -0.247 885 HG3 ARG 110 1HG ARG 110 -14.844 15.925 -1.257 886 HD2 ARG 110 2HD ARG 110 -13.894 17.940 -0.270 887 HD3 ARG 110 1HD ARG 110 -15.348 18.172 0.701 888 HE ARG 110 HE ARG 110 -14.463 15.674 1.361 889 HH11 ARG 110 1HH1 ARG 110 -13.079 18.826 1.412 890 HH12 ARG 110 2HH1 ARG 110 -12.052 18.462 2.753 891 HH21 ARG 110 1HH2 ARG 110 -13.146 15.232 3.067 892 HH22 ARG 110 2HH2 ARG 110 -12.086 16.457 3.671 893 HA PRO 111 HA PRO 111 -20.170 19.257 -4.359 894 HB2 PRO 111 2HB PRO 111 -22.399 19.152 -2.892 895 HB3 PRO 111 1HB PRO 111 -21.920 17.788 -3.909 896 HG2 PRO 111 2HG PRO 111 -21.665 18.124 -0.951 897 HG3 PRO 111 1HG PRO 111 -22.072 16.672 -1.886 898 HD2 PRO 111 2HD PRO 111 -19.540 17.317 -0.862 899 HD3 PRO 111 1HD PRO 111 -19.876 16.099 -2.106 900 H ASN 112 H ASN 112 -18.628 19.602 -1.461 901 HA ASN 112 HA ASN 112 -19.614 22.348 -1.044 902 HB2 ASN 112 2HB ASN 112 -20.608 20.903 0.660 903 HB3 ASN 112 1HB ASN 112 -19.018 20.293 1.099 904 HD21 ASN 112 1HD2 ASN 112 -19.288 20.956 3.222 905 HD22 ASN 112 2HD2 ASN 112 -19.188 22.616 3.684 906 H GLN 113 H GLN 113 -18.083 23.872 -0.667 907 HA GLN 113 HA GLN 113 -15.280 23.083 -0.926 908 HB2 GLN 113 2HB GLN 113 -15.959 24.809 -2.436 909 HB3 GLN 113 1HB GLN 113 -16.713 25.736 -1.149 910 HG2 GLN 113 2HG GLN 113 -14.676 26.815 -1.791 911 HG3 GLN 113 1HG GLN 113 -14.468 26.145 -0.176 912 HE21 GLN 113 1HE2 GLN 113 -12.453 26.889 -2.115 913 HE22 GLN 113 2HE2 GLN 113 -11.523 25.468 -2.422 914 H THR 114 H THR 114 -13.674 23.609 0.539 915 HA THR 114 HA THR 114 -14.517 24.070 3.287 916 HB THR 114 HB THR 114 -12.162 23.674 3.882 917 HG1 THR 114 HG1 THR 114 -11.244 24.625 1.954 918 HG21 THR 114 3HG2 THR 114 -11.965 21.352 3.084 919 HG22 THR 114 1HG2 THR 114 -13.226 21.659 1.889 920 HG23 THR 114 2HG2 THR 114 -13.605 21.724 3.610 921 H LEU 115 H LEU 115 -15.029 26.197 3.660 922 HA LEU 115 HA LEU 115 -13.604 28.403 2.546 923 HB2 LEU 115 2HB LEU 115 -15.572 28.215 4.829 924 HB3 LEU 115 1HB LEU 115 -14.855 29.732 4.321 925 HG LEU 115 HG LEU 115 -15.857 29.362 2.040 926 HD11 LEU 115 1HD1 LEU 115 -17.331 27.129 3.433 927 HD12 LEU 115 2HD1 LEU 115 -16.158 26.956 2.127 928 HD13 LEU 115 3HD1 LEU 115 -17.695 27.766 1.827 929 HD21 LEU 115 3HD2 LEU 115 -17.771 29.523 4.375 930 HD22 LEU 115 1HD2 LEU 115 -18.127 30.012 2.716 931 HD23 LEU 115 2HD2 LEU 115 -16.896 30.869 3.640 932 HA PRO 116 HA PRO 116 -10.072 27.972 5.382 933 HB2 PRO 116 2HB PRO 116 -9.261 30.477 3.993 934 HB3 PRO 116 1HB PRO 116 -8.361 28.973 4.224 935 HG2 PRO 116 2HG PRO 116 -9.380 29.589 1.839 936 HG3 PRO 116 1HG PRO 116 -9.410 27.915 2.433 937 HD2 PRO 116 2HD PRO 116 -11.624 29.945 2.361 938 HD3 PRO 116 1HD PRO 116 -11.673 28.210 1.977 Start of MODEL 6 1 H1 MET 1 1H MET 1 31.087 -20.544 9.072 2 H2 MET 1 2H MET 1 30.194 -19.138 8.780 3 H3 MET 1 3H MET 1 30.470 -19.643 10.366 4 HA MET 1 HA MET 1 31.884 -17.792 9.834 5 HB2 MET 1 2HB MET 1 33.273 -20.461 10.132 6 HB3 MET 1 1HB MET 1 34.121 -18.925 10.260 7 HG2 MET 1 2HG MET 1 32.614 -18.295 12.123 8 HG3 MET 1 1HG MET 1 31.885 -19.897 12.029 9 HE1 MET 1 3HE MET 1 34.090 -19.890 15.342 10 HE2 MET 1 1HE MET 1 32.450 -20.007 14.701 11 HE3 MET 1 2HE MET 1 33.315 -18.471 14.637 12 H GLY 2 H GLY 2 34.526 -18.128 8.815 13 HA2 GLY 2 2HA GLY 2 35.625 -18.416 6.691 14 HA3 GLY 2 1HA GLY 2 34.055 -18.315 5.904 15 H HIS 3 H HIS 3 36.634 -16.497 7.439 16 HA HIS 3 HA HIS 3 35.378 -13.946 7.246 17 HB2 HIS 3 2HB HIS 3 37.311 -14.642 8.781 18 HB3 HIS 3 1HB HIS 3 38.359 -14.392 7.388 19 HD1 HIS 3 HD1 HIS 3 36.048 -12.506 9.704 20 HD2 HIS 3 HD2 HIS 3 38.998 -11.754 6.870 21 HE1 HIS 3 HE1 HIS 3 36.516 -10.046 9.853 22 HE2 HIS 3 HE2 HIS 3 38.286 -9.607 8.123 23 H HIS 4 H HIS 4 37.392 -15.815 5.070 24 HA HIS 4 HA HIS 4 37.166 -13.682 3.035 25 HB2 HIS 4 2HB HIS 4 38.987 -16.094 3.207 26 HB3 HIS 4 1HB HIS 4 38.821 -15.124 1.749 27 HD1 HIS 4 HD1 HIS 4 40.018 -12.896 1.670 28 HD2 HIS 4 HD2 HIS 4 40.342 -14.798 5.350 29 HE1 HIS 4 HE1 HIS 4 41.778 -11.627 2.926 30 HE2 HIS 4 HE2 HIS 4 42.096 -12.916 5.061 31 H HIS 5 H HIS 5 37.101 -17.244 3.180 32 HA HIS 5 HA HIS 5 35.203 -17.400 0.992 33 HB2 HIS 5 2HB HIS 5 36.289 -19.602 2.773 34 HB3 HIS 5 1HB HIS 5 35.405 -19.825 1.267 35 HD1 HIS 5 HD1 HIS 5 38.781 -19.312 2.621 36 HD2 HIS 5 HD2 HIS 5 36.904 -18.998 -1.076 37 HE1 HIS 5 HE1 HIS 5 40.630 -19.244 0.930 38 HE2 HIS 5 HE2 HIS 5 39.482 -18.959 -1.285 39 H HIS 6 H HIS 6 33.508 -16.167 2.081 40 HA HIS 6 HA HIS 6 32.422 -16.996 4.578 41 HB2 HIS 6 2HB HIS 6 32.203 -14.685 3.827 42 HB3 HIS 6 1HB HIS 6 31.234 -15.198 2.449 43 HD1 HIS 6 HD1 HIS 6 31.056 -14.670 6.151 44 HD2 HIS 6 HD2 HIS 6 28.545 -15.755 3.024 45 HE1 HIS 6 HE1 HIS 6 28.734 -14.635 7.104 46 HE2 HIS 6 HE2 HIS 6 27.228 -15.240 5.185 47 H HIS 7 H HIS 7 31.551 -18.966 4.774 48 HA HIS 7 HA HIS 7 29.854 -20.128 2.747 49 HB2 HIS 7 2HB HIS 7 30.440 -20.972 5.601 50 HB3 HIS 7 1HB HIS 7 29.468 -21.908 4.468 51 HD1 HIS 7 HD1 HIS 7 30.701 -23.209 2.640 52 HD2 HIS 7 HD2 HIS 7 33.226 -20.964 5.060 53 HE1 HIS 7 HE1 HIS 7 33.021 -23.986 2.099 54 HE2 HIS 7 HE2 HIS 7 34.528 -22.472 3.414 55 H HIS 8 H HIS 8 27.712 -19.793 2.511 56 HA HIS 8 HA HIS 8 26.426 -17.826 4.107 57 HB2 HIS 8 2HB HIS 8 26.012 -18.351 1.635 58 HB3 HIS 8 1HB HIS 8 24.981 -19.663 2.199 59 HD1 HIS 8 HD1 HIS 8 22.764 -18.956 3.454 60 HD2 HIS 8 HD2 HIS 8 24.950 -15.810 1.850 61 HE1 HIS 8 HE1 HIS 8 21.230 -16.975 3.513 62 HE2 HIS 8 HE2 HIS 8 22.650 -15.047 2.745 63 H SER 9 H SER 9 26.429 -18.583 6.218 64 HA SER 9 HA SER 9 24.250 -20.388 6.925 65 HB2 SER 9 2HB SER 9 27.100 -20.915 7.837 66 HB3 SER 9 1HB SER 9 25.670 -21.757 8.430 67 HG SER 9 HG SER 9 25.635 -21.905 5.784 68 H HIS 10 H HIS 10 23.663 -20.238 9.190 69 HA HIS 10 HA HIS 10 23.195 -19.107 11.105 70 HB2 HIS 10 2HB HIS 10 25.877 -17.772 10.638 71 HB3 HIS 10 1HB HIS 10 24.899 -17.562 12.087 72 HD1 HIS 10 HD1 HIS 10 24.844 -19.494 13.778 73 HD2 HIS 10 HD2 HIS 10 27.196 -20.255 10.436 74 HE1 HIS 10 HE1 HIS 10 26.154 -21.560 14.330 75 HE2 HIS 10 HE2 HIS 10 27.452 -22.082 12.245 76 H GLU 11 H GLU 11 22.663 -18.084 8.314 77 HA GLU 11 HA GLU 11 22.029 -15.265 8.956 78 HB2 GLU 11 2HB GLU 11 22.461 -16.585 6.257 79 HB3 GLU 11 1HB GLU 11 22.038 -14.895 6.503 80 HG2 GLU 11 2HG GLU 11 24.133 -14.426 7.518 81 HG3 GLU 11 1HG GLU 11 24.539 -16.137 7.626 82 H HIS 12 H HIS 12 19.898 -14.759 9.096 83 HA HIS 12 HA HIS 12 17.929 -16.836 8.537 84 HB2 HIS 12 2HB HIS 12 17.623 -14.112 9.829 85 HB3 HIS 12 1HB HIS 12 16.339 -15.306 9.681 86 HD1 HIS 12 HD1 HIS 12 19.462 -14.548 11.596 87 HD2 HIS 12 HD2 HIS 12 16.487 -17.446 11.483 88 HE1 HIS 12 HE1 HIS 12 19.767 -15.914 13.680 89 HE2 HIS 12 HE2 HIS 12 18.059 -17.743 13.509 90 H LYS 13 H LYS 13 17.183 -16.971 6.504 91 HA LYS 13 HA LYS 13 16.224 -14.488 5.213 92 HB2 LYS 13 2HB LYS 13 17.086 -17.092 3.926 93 HB3 LYS 13 1HB LYS 13 16.324 -15.764 3.061 94 HG2 LYS 13 2HG LYS 13 18.222 -14.306 3.732 95 HG3 LYS 13 1HG LYS 13 19.003 -15.718 4.448 96 HD2 LYS 13 2HD LYS 13 19.872 -15.267 2.203 97 HD3 LYS 13 1HD LYS 13 19.034 -16.819 2.258 98 HE2 LYS 13 2HE LYS 13 17.056 -15.806 1.250 99 HE3 LYS 13 1HE LYS 13 17.842 -14.228 1.257 100 HZ1 LYS 13 3HZ LYS 13 17.947 -15.276 -0.918 101 HZ2 LYS 13 1HZ LYS 13 18.772 -16.602 -0.268 102 HZ3 LYS 13 2HZ LYS 13 19.495 -15.072 -0.272 103 H ARG 14 H ARG 14 14.078 -14.271 5.076 104 HA ARG 14 HA ARG 14 12.363 -16.663 4.999 105 HB2 ARG 14 2HB ARG 14 12.354 -16.027 7.313 106 HB3 ARG 14 1HB ARG 14 12.106 -14.337 6.911 107 HG2 ARG 14 2HG ARG 14 10.075 -15.326 7.787 108 HG3 ARG 14 1HG ARG 14 9.856 -14.843 6.106 109 HD2 ARG 14 2HD ARG 14 10.061 -17.130 5.369 110 HD3 ARG 14 1HD ARG 14 10.488 -17.660 6.997 111 HE ARG 14 HE ARG 14 8.177 -16.851 7.614 112 HH11 ARG 14 1HH1 ARG 14 8.903 -18.048 4.467 113 HH12 ARG 14 2HH1 ARG 14 7.270 -18.522 4.160 114 HH21 ARG 14 1HH2 ARG 14 6.108 -17.490 7.224 115 HH22 ARG 14 2HH2 ARG 14 5.697 -18.214 5.705 116 H ALA 15 H ALA 15 11.193 -16.544 3.203 117 HA ALA 15 HA ALA 15 10.734 -14.243 1.663 118 HB1 ALA 15 3HB ALA 15 9.172 -16.828 1.679 119 HB2 ALA 15 1HB ALA 15 10.637 -16.511 0.750 120 HB3 ALA 15 2HB ALA 15 9.158 -15.618 0.397 121 HA PRO 16 HA PRO 16 7.525 -12.127 3.830 122 HB2 PRO 16 2HB PRO 16 6.296 -10.840 1.742 123 HB3 PRO 16 1HB PRO 16 7.841 -10.337 2.437 124 HG2 PRO 16 2HG PRO 16 7.315 -11.991 -0.011 125 HG3 PRO 16 1HG PRO 16 8.467 -10.658 0.211 126 HD2 PRO 16 2HD PRO 16 9.260 -13.222 0.287 127 HD3 PRO 16 1HD PRO 16 9.989 -11.997 1.345 128 H MET 17 H MET 17 5.416 -12.326 4.431 129 HA MET 17 HA MET 17 3.554 -13.850 2.742 130 HB2 MET 17 2HB MET 17 4.393 -15.546 4.187 131 HB3 MET 17 1HB MET 17 4.323 -14.494 5.593 132 HG2 MET 17 2HG MET 17 2.564 -16.229 5.564 133 HG3 MET 17 1HG MET 17 1.924 -14.588 5.620 134 HE1 MET 17 3HE MET 17 -0.794 -16.441 3.533 135 HE2 MET 17 1HE MET 17 -0.484 -15.385 4.911 136 HE3 MET 17 2HE MET 17 0.101 -17.049 4.925 137 H PHE 18 H PHE 18 1.666 -12.795 2.554 138 HA PHE 18 HA PHE 18 0.967 -10.585 4.248 139 HB2 PHE 18 2HB PHE 18 -0.524 -12.022 2.043 140 HB3 PHE 18 1HB PHE 18 -1.244 -10.704 2.958 141 HD1 PHE 18 HD1 PHE 18 -0.331 -8.419 2.773 142 HD2 PHE 18 HD2 PHE 18 1.103 -11.603 0.330 143 HE1 PHE 18 HE1 PHE 18 0.655 -6.784 1.220 144 HE2 PHE 18 HE2 PHE 18 2.095 -9.968 -1.218 145 HZ PHE 18 HZ PHE 18 1.868 -7.557 -0.776 146 H ILE 19 H ILE 19 0.466 -11.057 6.322 147 HA ILE 19 HA ILE 19 -0.987 -13.405 7.105 148 HB ILE 19 HB ILE 19 -0.469 -10.925 8.765 149 HG12 ILE 19 2HG1 ILE 19 1.276 -13.392 8.448 150 HG13 ILE 19 1HG1 ILE 19 1.635 -11.800 7.784 151 HG21 ILE 19 1HG2 ILE 19 -1.007 -13.796 9.549 152 HG22 ILE 19 2HG2 ILE 19 -2.116 -12.436 9.732 153 HG23 ILE 19 3HG2 ILE 19 -0.623 -12.486 10.666 154 HD11 ILE 19 3HD1 ILE 19 1.425 -12.494 10.707 155 HD12 ILE 19 1HD1 ILE 19 1.772 -10.894 10.049 156 HD13 ILE 19 2HD1 ILE 19 2.911 -12.218 9.798 157 H TYR 20 H TYR 20 -1.782 -10.011 6.593 158 HA TYR 20 HA TYR 20 -4.648 -10.698 6.645 159 HB2 TYR 20 2HB TYR 20 -3.426 -8.189 7.836 160 HB3 TYR 20 1HB TYR 20 -5.153 -8.510 7.693 161 HD1 TYR 20 HD1 TYR 20 -6.068 -10.584 8.928 162 HD2 TYR 20 HD2 TYR 20 -2.257 -8.874 9.754 163 HE1 TYR 20 HE1 TYR 20 -6.045 -11.703 11.117 164 HE2 TYR 20 HE2 TYR 20 -2.226 -9.992 11.945 165 HH TYR 20 HH TYR 20 -4.347 -12.480 12.767 166 H LYS 21 H LYS 21 -5.883 -9.720 5.048 167 HA LYS 21 HA LYS 21 -4.394 -8.477 2.888 168 HB2 LYS 21 2HB LYS 21 -6.461 -8.690 1.583 169 HB3 LYS 21 1HB LYS 21 -6.025 -10.215 2.340 170 HG2 LYS 21 2HG LYS 21 -7.723 -9.926 4.029 171 HG3 LYS 21 1HG LYS 21 -8.093 -8.308 3.428 172 HD2 LYS 21 2HD LYS 21 -8.816 -9.291 1.281 173 HD3 LYS 21 1HD LYS 21 -8.484 -10.902 1.921 174 HE2 LYS 21 2HE LYS 21 -10.166 -10.564 3.665 175 HE3 LYS 21 1HE LYS 21 -10.484 -8.939 3.056 176 HZ1 LYS 21 3HZ LYS 21 -12.117 -10.565 2.291 177 HZ2 LYS 21 1HZ LYS 21 -10.901 -11.446 1.515 178 HZ3 LYS 21 2HZ LYS 21 -11.276 -9.880 0.999 179 HA PRO 22 HA PRO 22 -5.520 -4.260 4.021 180 HB2 PRO 22 2HB PRO 22 -5.006 -3.179 1.520 181 HB3 PRO 22 1HB PRO 22 -3.791 -3.440 2.778 182 HG2 PRO 22 2HG PRO 22 -4.433 -5.114 0.386 183 HG3 PRO 22 1HG PRO 22 -2.854 -4.730 1.100 184 HD2 PRO 22 2HD PRO 22 -4.066 -7.115 1.482 185 HD3 PRO 22 1HD PRO 22 -3.063 -6.356 2.736 186 H GLN 23 H GLN 23 -7.487 -3.334 4.037 187 HA GLN 23 HA GLN 23 -9.541 -4.458 2.299 188 HB2 GLN 23 2HB GLN 23 -9.713 -2.748 4.788 189 HB3 GLN 23 1HB GLN 23 -11.111 -3.326 3.891 190 HG2 GLN 23 2HG GLN 23 -9.042 -5.094 5.190 191 HG3 GLN 23 1HG GLN 23 -10.610 -4.681 5.885 192 HE21 GLN 23 1HE2 GLN 23 -12.486 -5.525 4.929 193 HE22 GLN 23 2HE2 GLN 23 -12.425 -6.896 3.880 194 H SER 24 H SER 24 -10.946 -3.284 1.033 195 HA SER 24 HA SER 24 -9.914 -0.835 -0.087 196 HB2 SER 24 2HB SER 24 -11.850 -1.037 -1.644 197 HB3 SER 24 1HB SER 24 -10.895 -2.516 -1.555 198 HG SER 24 HG SER 24 -13.235 -2.788 -1.437 199 H LYS 25 H LYS 25 -10.608 1.217 0.244 200 HA LYS 25 HA LYS 25 -13.094 1.660 1.764 201 HB2 LYS 25 2HB LYS 25 -10.438 3.010 2.326 202 HB3 LYS 25 1HB LYS 25 -11.967 3.421 3.093 203 HG2 LYS 25 2HG LYS 25 -12.072 1.150 4.061 204 HG3 LYS 25 1HG LYS 25 -10.510 0.785 3.326 205 HD2 LYS 25 2HD LYS 25 -10.207 1.369 5.664 206 HD3 LYS 25 1HD LYS 25 -9.489 2.616 4.643 207 HE2 LYS 25 2HE LYS 25 -11.424 4.043 4.982 208 HE3 LYS 25 1HE LYS 25 -12.224 2.781 5.918 209 HZ1 LYS 25 3HZ LYS 25 -11.223 4.435 7.350 210 HZ2 LYS 25 1HZ LYS 25 -9.703 4.158 6.668 211 HZ3 LYS 25 2HZ LYS 25 -10.461 2.944 7.564 212 H LYS 26 H LYS 26 -13.978 3.846 1.539 213 HA LYS 26 HA LYS 26 -13.016 5.284 -0.846 214 HB2 LYS 26 2HB LYS 26 -15.313 5.614 -1.611 215 HB3 LYS 26 1HB LYS 26 -14.913 3.906 -1.511 216 HG2 LYS 26 2HG LYS 26 -16.125 3.771 0.634 217 HG3 LYS 26 1HG LYS 26 -16.573 5.467 0.458 218 HD2 LYS 26 2HD LYS 26 -18.415 4.098 -0.286 219 HD3 LYS 26 1HD LYS 26 -17.704 4.907 -1.684 220 HE2 LYS 26 2HE LYS 26 -18.180 2.611 -2.253 221 HE3 LYS 26 1HE LYS 26 -16.432 2.836 -2.185 222 HZ1 LYS 26 3HZ LYS 26 -16.337 1.751 -0.094 223 HZ2 LYS 26 1HZ LYS 26 -17.286 0.773 -1.097 224 HZ3 LYS 26 2HZ LYS 26 -18.018 1.749 0.071 225 H VAL 27 H VAL 27 -13.074 7.488 -0.774 226 HA VAL 27 HA VAL 27 -14.331 8.809 1.543 227 HB VAL 27 HB VAL 27 -12.294 10.199 1.899 228 HG11 VAL 27 1HG1 VAL 27 -10.980 8.495 3.086 229 HG12 VAL 27 2HG1 VAL 27 -11.866 7.226 2.238 230 HG13 VAL 27 3HG1 VAL 27 -12.711 8.294 3.359 231 HG21 VAL 27 3HG2 VAL 27 -10.150 9.465 0.965 232 HG22 VAL 27 1HG2 VAL 27 -11.280 9.924 -0.310 233 HG23 VAL 27 2HG2 VAL 27 -10.979 8.220 0.031 234 H LEU 28 H LEU 28 -13.879 11.354 1.274 235 HA LEU 28 HA LEU 28 -14.958 12.035 -1.360 236 HB2 LEU 28 2HB LEU 28 -14.638 13.701 1.143 237 HB3 LEU 28 1HB LEU 28 -15.400 14.251 -0.336 238 HG LEU 28 HG LEU 28 -16.408 12.006 1.422 239 HD11 LEU 28 1HD1 LEU 28 -17.429 14.823 1.035 240 HD12 LEU 28 2HD1 LEU 28 -16.679 14.171 2.491 241 HD13 LEU 28 3HD1 LEU 28 -18.243 13.557 1.957 242 HD21 LEU 28 3HD2 LEU 28 -16.966 11.621 -0.910 243 HD22 LEU 28 1HD2 LEU 28 -17.602 13.258 -1.055 244 HD23 LEU 28 2HD2 LEU 28 -18.408 12.087 -0.011 245 H GLU 29 H GLU 29 -14.173 13.966 -2.504 246 HA GLU 29 HA GLU 29 -11.382 13.900 -2.938 247 HB2 GLU 29 2HB GLU 29 -13.405 15.986 -3.787 248 HB3 GLU 29 1HB GLU 29 -11.752 15.897 -4.381 249 HG2 GLU 29 2HG GLU 29 -12.271 13.600 -5.229 250 HG3 GLU 29 1HG GLU 29 -13.955 13.885 -4.790 251 H GLY 30 H GLY 30 -9.859 14.628 -1.630 252 HA2 GLY 30 2HA GLY 30 -8.732 16.565 -0.675 253 HA3 GLY 30 1HA GLY 30 -10.300 17.169 -0.166 254 H ASP 31 H ASP 31 -10.526 13.988 0.444 255 HA ASP 31 HA ASP 31 -9.832 14.317 3.253 256 HB2 ASP 31 2HB ASP 31 -11.266 12.104 1.768 257 HB3 ASP 31 1HB ASP 31 -10.949 12.074 3.498 258 H SER 32 H SER 32 -9.092 12.017 4.237 259 HA SER 32 HA SER 32 -6.744 11.085 2.713 260 HB2 SER 32 2HB SER 32 -5.450 10.976 4.793 261 HB3 SER 32 1HB SER 32 -6.019 12.620 4.512 262 HG SER 32 HG SER 32 -6.445 12.186 6.626 263 H VAL 33 H VAL 33 -5.999 8.935 3.254 264 HA VAL 33 HA VAL 33 -7.805 7.220 4.793 265 HB VAL 33 HB VAL 33 -8.682 7.277 2.434 266 HG11 VAL 33 1HG1 VAL 33 -6.567 7.523 1.258 267 HG12 VAL 33 2HG1 VAL 33 -7.433 6.098 0.685 268 HG13 VAL 33 3HG1 VAL 33 -6.064 5.914 1.784 269 HG21 VAL 33 3HG2 VAL 33 -8.943 4.842 2.221 270 HG22 VAL 33 1HG2 VAL 33 -9.149 5.373 3.890 271 HG23 VAL 33 2HG2 VAL 33 -7.644 4.600 3.391 272 H LYS 34 H LYS 34 -6.865 5.154 5.347 273 HA LYS 34 HA LYS 34 -4.029 4.821 4.593 274 HB2 LYS 34 2HB LYS 34 -3.581 3.818 6.795 275 HB3 LYS 34 1HB LYS 34 -4.110 5.488 6.930 276 HG2 LYS 34 2HG LYS 34 -6.216 4.876 7.766 277 HG3 LYS 34 1HG LYS 34 -6.031 3.200 7.250 278 HD2 LYS 34 2HD LYS 34 -5.760 3.433 9.680 279 HD3 LYS 34 1HD LYS 34 -4.284 2.854 8.912 280 HE2 LYS 34 2HE LYS 34 -3.390 5.170 8.980 281 HE3 LYS 34 1HE LYS 34 -4.847 5.673 9.842 282 HZ1 LYS 34 3HZ LYS 34 -3.137 5.270 11.430 283 HZ2 LYS 34 1HZ LYS 34 -2.787 3.747 10.779 284 HZ3 LYS 34 2HZ LYS 34 -4.257 4.012 11.572 285 H LEU 35 H LEU 35 -3.479 2.915 3.756 286 HA LEU 35 HA LEU 35 -5.314 0.611 4.069 287 HB2 LEU 35 2HB LEU 35 -3.385 1.197 1.806 288 HB3 LEU 35 1HB LEU 35 -4.455 -0.189 1.909 289 HG LEU 35 HG LEU 35 -5.363 2.691 1.661 290 HD11 LEU 35 1HD1 LEU 35 -5.276 0.486 -0.401 291 HD12 LEU 35 2HD1 LEU 35 -4.294 1.950 -0.389 292 HD13 LEU 35 3HD1 LEU 35 -6.037 2.063 -0.621 293 HD21 LEU 35 3HD2 LEU 35 -6.932 0.109 1.589 294 HD22 LEU 35 1HD2 LEU 35 -7.583 1.715 1.253 295 HD23 LEU 35 2HD2 LEU 35 -6.980 1.327 2.864 296 H GLU 36 H GLU 36 -4.453 -0.871 5.463 297 HA GLU 36 HA GLU 36 -1.515 -1.142 5.529 298 HB2 GLU 36 2HB GLU 36 -1.565 -1.299 7.968 299 HB3 GLU 36 1HB GLU 36 -2.185 0.248 7.411 300 HG2 GLU 36 2HG GLU 36 -4.475 -0.533 7.780 301 HG3 GLU 36 1HG GLU 36 -3.858 -2.093 8.322 302 H CYS 37 H CYS 37 -0.660 -3.104 6.294 303 HA CYS 37 HA CYS 37 -2.387 -5.359 6.862 304 HB2 CYS 37 2HB CYS 37 -1.484 -6.760 5.020 305 HB3 CYS 37 1HB CYS 37 -2.442 -5.407 4.431 306 HG CYS 37 HG CYS 37 -0.538 -4.114 3.181 307 H GLN 38 H GLN 38 -1.026 -7.387 7.241 308 HA GLN 38 HA GLN 38 1.571 -6.645 8.442 309 HB2 GLN 38 2HB GLN 38 -0.317 -8.925 9.091 310 HB3 GLN 38 1HB GLN 38 1.280 -8.739 9.802 311 HG2 GLN 38 2HG GLN 38 -0.930 -6.707 10.050 312 HG3 GLN 38 1HG GLN 38 -0.592 -7.963 11.238 313 HE21 GLN 38 1HE2 GLN 38 2.315 -7.753 10.915 314 HE22 GLN 38 2HE2 GLN 38 2.768 -6.288 11.696 315 H ILE 39 H ILE 39 3.334 -7.316 7.401 316 HA ILE 39 HA ILE 39 3.207 -9.787 5.776 317 HB ILE 39 HB ILE 39 4.900 -7.330 5.229 318 HG12 ILE 39 2HG1 ILE 39 2.484 -8.403 3.736 319 HG13 ILE 39 1HG1 ILE 39 2.512 -6.951 4.732 320 HG21 ILE 39 1HG2 ILE 39 4.584 -9.881 3.638 321 HG22 ILE 39 2HG2 ILE 39 6.011 -9.393 4.551 322 HG23 ILE 39 3HG2 ILE 39 5.511 -8.466 3.138 323 HD11 ILE 39 3HD1 ILE 39 4.064 -7.386 2.188 324 HD12 ILE 39 1HD1 ILE 39 4.122 -5.938 3.191 325 HD13 ILE 39 2HD1 ILE 39 2.621 -6.389 2.382 326 H SER 40 H SER 40 4.446 -11.364 6.618 327 HA SER 40 HA SER 40 6.613 -10.673 8.474 328 HB2 SER 40 2HB SER 40 5.034 -12.378 9.226 329 HB3 SER 40 1HB SER 40 5.370 -13.355 7.797 330 HG SER 40 HG SER 40 6.891 -14.214 8.958 331 H ALA 41 H ALA 41 8.409 -10.119 7.348 332 HA ALA 41 HA ALA 41 9.625 -12.222 5.676 333 HB1 ALA 41 3HB ALA 41 10.499 -10.590 4.129 334 HB2 ALA 41 1HB ALA 41 9.792 -9.274 5.064 335 HB3 ALA 41 2HB ALA 41 8.746 -10.420 4.228 336 H ILE 42 H ILE 42 11.934 -12.318 5.708 337 HA ILE 42 HA ILE 42 13.328 -10.550 7.605 338 HB ILE 42 HB ILE 42 13.581 -13.570 7.683 339 HG12 ILE 42 2HG1 ILE 42 12.422 -11.645 9.725 340 HG13 ILE 42 1HG1 ILE 42 11.497 -12.775 8.743 341 HG21 ILE 42 1HG2 ILE 42 15.101 -13.205 9.569 342 HG22 ILE 42 2HG2 ILE 42 14.950 -11.460 9.360 343 HG23 ILE 42 3HG2 ILE 42 15.710 -12.435 8.104 344 HD11 ILE 42 3HD1 ILE 42 13.523 -13.508 10.851 345 HD12 ILE 42 1HD1 ILE 42 12.619 -14.650 9.852 346 HD13 ILE 42 2HD1 ILE 42 11.770 -13.612 10.998 347 HA PRO 43 HA PRO 43 14.657 -9.163 7.475 348 HB2 PRO 43 2HB PRO 43 15.844 -7.233 6.015 349 HB3 PRO 43 1HB PRO 43 16.792 -8.406 6.937 350 HG2 PRO 43 2HG PRO 43 16.121 -8.403 4.009 351 HG3 PRO 43 1HG PRO 43 17.688 -8.690 4.793 352 HD2 PRO 43 2HD PRO 43 16.076 -10.709 3.935 353 HD3 PRO 43 1HD PRO 43 17.159 -10.872 5.333 354 HA PRO 44 HA PRO 44 11.079 -6.915 5.836 355 HB2 PRO 44 2HB PRO 44 12.837 -4.479 5.697 356 HB3 PRO 44 1HB PRO 44 11.190 -4.639 6.321 357 HG2 PRO 44 2HG PRO 44 13.237 -4.542 8.001 358 HG3 PRO 44 1HG PRO 44 11.896 -5.667 8.293 359 HD2 PRO 44 2HD PRO 44 14.655 -6.222 7.303 360 HD3 PRO 44 1HD PRO 44 13.591 -7.230 8.305 361 HA PRO 45 HA PRO 45 12.017 -7.013 1.454 362 HB2 PRO 45 2HB PRO 45 9.530 -7.176 0.516 363 HB3 PRO 45 1HB PRO 45 10.205 -8.470 1.513 364 HG2 PRO 45 2HG PRO 45 8.290 -6.300 2.271 365 HG3 PRO 45 1HG PRO 45 8.307 -8.003 2.762 366 HD2 PRO 45 2HD PRO 45 9.321 -5.865 4.264 367 HD3 PRO 45 1HD PRO 45 9.696 -7.580 4.519 368 H LYS 46 H LYS 46 11.521 -5.878 -0.585 369 HA LYS 46 HA LYS 46 11.143 -3.012 -0.255 370 HB2 LYS 46 2HB LYS 46 12.882 -3.994 -1.783 371 HB3 LYS 46 1HB LYS 46 11.586 -4.615 -2.793 372 HG2 LYS 46 2HG LYS 46 12.459 -2.610 -3.770 373 HG3 LYS 46 1HG LYS 46 10.822 -2.296 -3.190 374 HD2 LYS 46 2HD LYS 46 11.685 -1.146 -1.239 375 HD3 LYS 46 1HD LYS 46 13.341 -1.584 -1.671 376 HE2 LYS 46 2HE LYS 46 13.156 -0.247 -3.718 377 HE3 LYS 46 1HE LYS 46 11.503 0.192 -3.285 378 HZ1 LYS 46 3HZ LYS 46 13.226 1.881 -2.738 379 HZ2 LYS 46 1HZ LYS 46 13.857 0.810 -1.596 380 HZ3 LYS 46 2HZ LYS 46 12.286 1.401 -1.417 381 H LEU 47 H LEU 47 9.251 -1.967 -0.592 382 HA LEU 47 HA LEU 47 6.935 -3.576 -1.418 383 HB2 LEU 47 2HB LEU 47 6.972 -0.880 -0.058 384 HB3 LEU 47 1HB LEU 47 5.577 -1.916 -0.293 385 HG LEU 47 HG LEU 47 7.958 -2.628 1.433 386 HD11 LEU 47 1HD1 LEU 47 5.227 -1.620 2.240 387 HD12 LEU 47 2HD1 LEU 47 6.746 -0.735 2.376 388 HD13 LEU 47 3HD1 LEU 47 6.485 -2.189 3.339 389 HD21 LEU 47 3HD2 LEU 47 6.793 -4.579 0.519 390 HD22 LEU 47 1HD2 LEU 47 5.259 -3.958 1.126 391 HD23 LEU 47 2HD2 LEU 47 6.526 -4.440 2.255 392 H PHE 48 H PHE 48 5.606 -3.032 -3.095 393 HA PHE 48 HA PHE 48 6.161 -0.551 -4.600 394 HB2 PHE 48 2HB PHE 48 5.659 -3.307 -5.761 395 HB3 PHE 48 1HB PHE 48 5.726 -1.824 -6.705 396 HD1 PHE 48 HD2 PHE 48 7.685 -4.291 -4.829 397 HD2 PHE 48 HD1 PHE 48 7.832 -0.703 -7.128 398 HE1 PHE 48 HE2 PHE 48 10.118 -4.544 -5.073 399 HE2 PHE 48 HE1 PHE 48 10.265 -0.958 -7.370 400 HZ PHE 48 HZ PHE 48 11.410 -2.881 -6.341 401 H TRP 49 H TRP 49 4.383 0.607 -5.186 402 HA TRP 49 HA TRP 49 1.736 -0.704 -5.075 403 HB2 TRP 49 2HB TRP 49 2.524 2.004 -3.993 404 HB3 TRP 49 1HB TRP 49 0.854 1.609 -4.377 405 HD1 TRP 49 HD1 TRP 49 3.654 0.652 -1.922 406 HE1 TRP 49 HE1 TRP 49 2.582 -0.465 0.131 407 HE3 TRP 49 HE3 TRP 49 -1.171 0.314 -3.595 408 HZ2 TRP 49 HZ2 TRP 49 0.036 -1.366 0.943 409 HZ3 TRP 49 HZ3 TRP 49 -2.863 -0.692 -2.116 410 HH2 TRP 49 HH2 TRP 49 -2.270 -1.515 0.106 411 H LYS 50 H LYS 50 0.644 -0.597 -6.929 412 HA LYS 50 HA LYS 50 1.102 1.675 -8.760 413 HB2 LYS 50 2HB LYS 50 2.431 -0.210 -9.559 414 HB3 LYS 50 1HB LYS 50 1.022 -1.260 -9.514 415 HG2 LYS 50 2HG LYS 50 -0.023 0.095 -11.282 416 HG3 LYS 50 1HG LYS 50 1.414 1.121 -11.332 417 HD2 LYS 50 2HD LYS 50 1.306 -1.841 -11.953 418 HD3 LYS 50 1HD LYS 50 1.471 -0.535 -13.127 419 HE2 LYS 50 2HE LYS 50 3.627 0.086 -12.155 420 HE3 LYS 50 1HE LYS 50 3.457 -1.178 -10.937 421 HZ1 LYS 50 3HZ LYS 50 3.531 -2.837 -12.671 422 HZ2 LYS 50 1HZ LYS 50 4.896 -1.841 -12.779 423 HZ3 LYS 50 2HZ LYS 50 3.615 -1.643 -13.866 424 H ARG 51 H ARG 51 -0.752 2.600 -9.446 425 HA ARG 51 HA ARG 51 -3.289 1.101 -9.152 426 HB2 ARG 51 2HB ARG 51 -3.338 3.076 -7.784 427 HB3 ARG 51 1HB ARG 51 -2.698 4.071 -9.088 428 HG2 ARG 51 2HG ARG 51 -4.798 3.643 -10.364 429 HG3 ARG 51 1HG ARG 51 -5.431 2.799 -8.950 430 HD2 ARG 51 2HD ARG 51 -6.204 5.155 -9.146 431 HD3 ARG 51 1HD ARG 51 -5.350 4.816 -7.645 432 HE ARG 51 HE ARG 51 -3.828 6.394 -8.234 433 HH11 ARG 51 1HH1 ARG 51 -5.423 5.374 -11.121 434 HH12 ARG 51 2HH1 ARG 51 -4.576 6.512 -12.112 435 HH21 ARG 51 1HH2 ARG 51 -2.798 7.869 -9.501 436 HH22 ARG 51 2HH2 ARG 51 -3.103 7.908 -11.204 437 H ASN 52 H ASN 52 -3.979 0.291 -11.069 438 HA ASN 52 HA ASN 52 -4.398 0.087 -13.316 439 HB2 ASN 52 2HB ASN 52 -5.154 2.928 -12.688 440 HB3 ASN 52 1HB ASN 52 -5.343 2.300 -14.318 441 HD21 ASN 52 1HD2 ASN 52 -5.805 0.298 -11.471 442 HD22 ASN 52 2HD2 ASN 52 -7.513 0.135 -11.664 443 H ASN 53 H ASN 53 -1.792 0.062 -13.140 444 HA ASN 53 HA ASN 53 0.090 0.206 -14.400 445 HB2 ASN 53 2HB ASN 53 -1.632 1.789 -16.317 446 HB3 ASN 53 1HB ASN 53 -0.005 1.206 -16.663 447 HD21 ASN 53 1HD2 ASN 53 -2.597 0.591 -17.918 448 HD22 ASN 53 2HD2 ASN 53 -2.744 -1.129 -17.836 449 H GLU 54 H GLU 54 -1.179 2.749 -12.788 450 HA GLU 54 HA GLU 54 0.979 4.607 -13.498 451 HB2 GLU 54 2HB GLU 54 -1.491 4.965 -11.788 452 HB3 GLU 54 1HB GLU 54 -0.232 6.185 -11.932 453 HG2 GLU 54 2HG GLU 54 -0.649 6.371 -14.321 454 HG3 GLU 54 1HG GLU 54 -1.867 5.100 -14.224 455 H MET 55 H MET 55 2.687 4.967 -12.245 456 HA MET 55 HA MET 55 3.180 3.226 -9.996 457 HB2 MET 55 2HB MET 55 4.923 3.784 -11.690 458 HB3 MET 55 1HB MET 55 4.893 5.451 -11.140 459 HG2 MET 55 2HG MET 55 6.709 4.685 -9.998 460 HG3 MET 55 1HG MET 55 5.453 4.343 -8.813 461 HE1 MET 55 3HE MET 55 5.079 0.488 -8.959 462 HE2 MET 55 1HE MET 55 4.037 1.647 -9.783 463 HE3 MET 55 2HE MET 55 4.621 1.989 -8.155 464 H VAL 56 H VAL 56 2.517 3.710 -7.972 465 HA VAL 56 HA VAL 56 1.719 6.360 -7.216 466 HB VAL 56 HB VAL 56 2.115 3.932 -5.443 467 HG11 VAL 56 1HG1 VAL 56 0.531 6.471 -4.991 468 HG12 VAL 56 2HG1 VAL 56 2.025 6.014 -4.172 469 HG13 VAL 56 3HG1 VAL 56 0.558 5.071 -3.915 470 HG21 VAL 56 3HG2 VAL 56 0.541 3.448 -7.241 471 HG22 VAL 56 1HG2 VAL 56 -0.372 4.910 -6.864 472 HG23 VAL 56 2HG2 VAL 56 -0.310 3.584 -5.702 473 H GLN 57 H GLN 57 3.188 7.908 -6.858 474 HA GLN 57 HA GLN 57 5.830 7.205 -5.816 475 HB2 GLN 57 2HB GLN 57 4.779 9.762 -7.044 476 HB3 GLN 57 1HB GLN 57 6.431 9.536 -6.479 477 HG2 GLN 57 2HG GLN 57 6.766 7.763 -8.114 478 HG3 GLN 57 1HG GLN 57 5.098 7.936 -8.662 479 HE21 GLN 57 1HE2 GLN 57 8.257 9.376 -8.611 480 HE22 GLN 57 2HE2 GLN 57 7.971 10.516 -9.877 481 H PHE 58 H PHE 58 6.467 7.630 -3.808 482 HA PHE 58 HA PHE 58 4.559 8.919 -1.990 483 HB2 PHE 58 2HB PHE 58 7.034 7.378 -1.193 484 HB3 PHE 58 1HB PHE 58 5.574 7.663 -0.250 485 HD1 PHE 58 HD1 PHE 58 3.409 6.558 -1.043 486 HD2 PHE 58 HD2 PHE 58 7.258 5.449 -2.493 487 HE1 PHE 58 HE1 PHE 58 2.495 4.413 -1.829 488 HE2 PHE 58 HE2 PHE 58 6.348 3.304 -3.279 489 HZ PHE 58 HZ PHE 58 3.963 2.785 -2.944 490 H ASN 59 H ASN 59 6.335 10.504 -3.745 491 HA ASN 59 HA ASN 59 8.540 11.472 -2.157 492 HB2 ASN 59 2HB ASN 59 8.909 13.031 -4.042 493 HB3 ASN 59 1HB ASN 59 8.740 11.362 -4.582 494 HD21 ASN 59 1HD2 ASN 59 7.262 14.509 -4.532 495 HD22 ASN 59 2HD2 ASN 59 6.047 14.168 -5.714 496 H THR 60 H THR 60 5.407 12.022 -1.626 497 HA THR 60 HA THR 60 5.805 14.852 -0.870 498 HB THR 60 HB THR 60 4.335 15.061 -2.696 499 HG1 THR 60 HG1 THR 60 3.204 16.257 -1.344 500 HG21 THR 60 3HG2 THR 60 2.362 13.653 -3.063 501 HG22 THR 60 1HG2 THR 60 2.751 12.721 -1.618 502 HG23 THR 60 2HG2 THR 60 3.830 12.676 -3.014 503 H ASP 61 H ASP 61 4.419 15.603 0.903 504 HA ASP 61 HA ASP 61 4.296 13.766 3.080 505 HB2 ASP 61 2HB ASP 61 4.685 16.196 3.365 506 HB3 ASP 61 1HB ASP 61 3.051 16.522 2.804 507 H ARG 62 H ARG 62 2.079 14.681 0.596 508 HA ARG 62 HA ARG 62 -0.315 13.891 1.968 509 HB2 ARG 62 2HB ARG 62 0.067 14.205 -1.012 510 HB3 ARG 62 1HB ARG 62 -1.452 14.239 -0.126 511 HG2 ARG 62 2HG ARG 62 -0.548 16.288 1.072 512 HG3 ARG 62 1HG ARG 62 0.746 16.298 -0.127 513 HD2 ARG 62 2HD ARG 62 -2.208 16.690 -0.555 514 HD3 ARG 62 1HD ARG 62 -0.890 17.796 -0.937 515 HE ARG 62 HE ARG 62 -1.439 15.287 -2.388 516 HH11 ARG 62 1HH1 ARG 62 -0.220 18.504 -2.313 517 HH12 ARG 62 2HH1 ARG 62 0.070 18.548 -4.014 518 HH21 ARG 62 1HH2 ARG 62 -1.095 15.362 -4.559 519 HH22 ARG 62 2HH2 ARG 62 -0.455 16.798 -5.282 520 H ILE 63 H ILE 63 2.042 12.257 -0.037 521 HA ILE 63 HA ILE 63 0.476 9.756 0.235 522 HB ILE 63 HB ILE 63 2.486 10.393 -1.946 523 HG12 ILE 63 2HG1 ILE 63 0.423 11.712 -2.235 524 HG13 ILE 63 1HG1 ILE 63 0.568 10.480 -3.485 525 HG21 ILE 63 1HG2 ILE 63 2.409 8.025 -1.386 526 HG22 ILE 63 2HG2 ILE 63 1.707 8.305 -2.978 527 HG23 ILE 63 3HG2 ILE 63 0.658 8.010 -1.591 528 HD11 ILE 63 3HD1 ILE 63 -1.712 10.662 -2.680 529 HD12 ILE 63 1HD1 ILE 63 -1.176 10.316 -1.036 530 HD13 ILE 63 2HD1 ILE 63 -1.037 9.082 -2.289 531 H SER 64 H SER 64 1.431 8.264 1.511 532 HA SER 64 HA SER 64 4.358 8.247 1.807 533 HB2 SER 64 2HB SER 64 2.446 8.401 4.156 534 HB3 SER 64 1HB SER 64 4.188 8.163 4.275 535 HG SER 64 HG SER 64 4.057 10.268 2.861 536 H LEU 65 H LEU 65 5.247 6.287 2.527 537 HA LEU 65 HA LEU 65 3.423 4.049 3.070 538 HB2 LEU 65 2HB LEU 65 3.885 3.917 0.676 539 HB3 LEU 65 1HB LEU 65 5.609 4.023 0.976 540 HG LEU 65 HG LEU 65 5.474 1.840 2.193 541 HD11 LEU 65 1HD1 LEU 65 3.094 1.915 2.771 542 HD12 LEU 65 2HD1 LEU 65 3.511 0.437 1.905 543 HD13 LEU 65 3HD1 LEU 65 2.676 1.744 1.066 544 HD21 LEU 65 3HD2 LEU 65 5.296 0.467 0.167 545 HD22 LEU 65 1HD2 LEU 65 6.231 1.935 -0.120 546 HD23 LEU 65 2HD2 LEU 65 4.563 1.825 -0.686 547 H TYR 66 H TYR 66 4.061 3.423 5.071 548 HA TYR 66 HA TYR 66 6.965 3.115 5.524 549 HB2 TYR 66 2HB TYR 66 6.729 3.834 7.815 550 HB3 TYR 66 1HB TYR 66 6.071 5.069 6.756 551 HD1 TYR 66 HD2 TYR 66 3.611 5.430 6.649 552 HD2 TYR 66 HD1 TYR 66 5.338 2.697 9.418 553 HE1 TYR 66 HE2 TYR 66 1.533 5.450 7.960 554 HE2 TYR 66 HE1 TYR 66 3.261 2.711 10.731 555 HH TYR 66 HH TYR 66 0.361 3.872 9.595 556 H GLN 67 H GLN 67 7.666 1.344 6.646 557 HA GLN 67 HA GLN 67 5.628 -0.660 7.390 558 HB2 GLN 67 2HB GLN 67 7.266 -2.407 6.774 559 HB3 GLN 67 1HB GLN 67 6.816 -1.398 5.407 560 HG2 GLN 67 2HG GLN 67 8.919 -0.131 5.685 561 HG3 GLN 67 1HG GLN 67 9.378 -1.222 6.994 562 HE21 GLN 67 1HE2 GLN 67 8.953 -0.877 3.575 563 HE22 GLN 67 2HE2 GLN 67 9.747 -2.340 3.122 564 H ASP 68 H ASP 68 5.623 -1.235 9.445 565 HA ASP 68 HA ASP 68 7.504 -0.123 11.306 566 HB2 ASP 68 2HB ASP 68 4.994 -0.422 11.645 567 HB3 ASP 68 1HB ASP 68 5.317 -2.134 11.881 568 H ASN 69 H ASN 69 8.656 -1.421 12.939 569 HA ASN 69 HA ASN 69 10.289 -3.416 11.806 570 HB2 ASN 69 2HB ASN 69 10.989 -1.978 13.690 571 HB3 ASN 69 1HB ASN 69 9.831 -2.791 14.738 572 HD21 ASN 69 1HD2 ASN 69 12.832 -3.094 13.012 573 HD22 ASN 69 2HD2 ASN 69 13.387 -4.509 13.830 574 H THR 70 H THR 70 7.228 -3.629 13.448 575 HA THR 70 HA THR 70 7.392 -6.478 13.954 576 HB THR 70 HB THR 70 5.997 -5.028 15.388 577 HG1 THR 70 HG1 THR 70 4.671 -6.667 15.693 578 HG21 THR 70 3HG2 THR 70 4.194 -4.785 12.971 579 HG22 THR 70 1HG2 THR 70 5.178 -3.484 13.641 580 HG23 THR 70 2HG2 THR 70 3.858 -4.169 14.589 581 H GLY 71 H GLY 71 7.241 -4.912 11.121 582 HA2 GLY 71 2HA GLY 71 6.858 -5.803 9.004 583 HA3 GLY 71 1HA GLY 71 6.038 -7.166 9.747 584 H ARG 72 H ARG 72 5.100 -3.908 10.550 585 HA ARG 72 HA ARG 72 2.478 -4.386 9.333 586 HB2 ARG 72 2HB ARG 72 2.606 -3.685 11.702 587 HB3 ARG 72 1HB ARG 72 3.391 -2.192 11.213 588 HG2 ARG 72 2HG ARG 72 1.371 -1.546 9.968 589 HG3 ARG 72 1HG ARG 72 0.583 -3.036 10.492 590 HD2 ARG 72 2HD ARG 72 0.860 -2.328 12.839 591 HD3 ARG 72 1HD ARG 72 1.596 -0.824 12.286 592 HE ARG 72 HE ARG 72 -1.086 -1.398 11.307 593 HH11 ARG 72 1HH1 ARG 72 0.897 0.311 13.562 594 HH12 ARG 72 2HH1 ARG 72 -0.366 1.414 13.989 595 HH21 ARG 72 1HH2 ARG 72 -2.686 0.027 11.868 596 HH22 ARG 72 2HH2 ARG 72 -2.363 1.257 13.046 597 H VAL 73 H VAL 73 2.282 -3.730 7.273 598 HA VAL 73 HA VAL 73 3.758 -1.381 6.312 599 HB VAL 73 HB VAL 73 2.109 -3.428 4.803 600 HG11 VAL 73 1HG1 VAL 73 3.829 -1.177 3.740 601 HG12 VAL 73 2HG1 VAL 73 2.071 -1.294 3.634 602 HG13 VAL 73 3HG1 VAL 73 3.084 -2.445 2.763 603 HG21 VAL 73 3HG2 VAL 73 4.272 -4.250 3.980 604 HG22 VAL 73 1HG2 VAL 73 4.161 -4.367 5.736 605 HG23 VAL 73 2HG2 VAL 73 5.108 -3.076 4.996 606 H THR 74 H THR 74 2.788 0.556 5.875 607 HA THR 74 HA THR 74 -0.152 0.635 5.667 608 HB THR 74 HB THR 74 1.477 2.473 7.445 609 HG1 THR 74 HG1 THR 74 0.359 0.125 7.942 610 HG21 THR 74 3HG2 THR 74 -0.694 3.486 8.033 611 HG22 THR 74 1HG2 THR 74 -1.489 2.479 6.823 612 HG23 THR 74 2HG2 THR 74 -0.321 3.703 6.323 613 H LEU 75 H LEU 75 -0.779 1.682 3.920 614 HA LEU 75 HA LEU 75 0.918 3.726 2.678 615 HB2 LEU 75 2HB LEU 75 0.069 1.964 1.221 616 HB3 LEU 75 1HB LEU 75 -1.577 2.313 1.713 617 HG LEU 75 HG LEU 75 -1.363 4.574 0.662 618 HD11 LEU 75 1HD1 LEU 75 0.484 4.979 -0.890 619 HD12 LEU 75 2HD1 LEU 75 1.255 3.482 -0.367 620 HD13 LEU 75 3HD1 LEU 75 1.054 4.815 0.771 621 HD21 LEU 75 3HD2 LEU 75 -0.870 2.219 -1.163 622 HD22 LEU 75 1HD2 LEU 75 -1.528 3.781 -1.652 623 HD23 LEU 75 2HD2 LEU 75 -2.434 2.750 -0.544 624 H LEU 76 H LEU 76 0.467 5.841 2.916 625 HA LEU 76 HA LEU 76 -2.166 6.644 3.999 626 HB2 LEU 76 2HB LEU 76 0.511 8.046 4.225 627 HB3 LEU 76 1HB LEU 76 -1.003 8.649 4.872 628 HG LEU 76 HG LEU 76 0.385 6.112 5.757 629 HD11 LEU 76 1HD1 LEU 76 0.158 8.796 7.123 630 HD12 LEU 76 2HD1 LEU 76 1.623 8.090 6.438 631 HD13 LEU 76 3HD1 LEU 76 0.850 7.334 7.830 632 HD21 LEU 76 3HD2 LEU 76 -2.031 5.942 5.989 633 HD22 LEU 76 1HD2 LEU 76 -2.079 7.489 6.839 634 HD23 LEU 76 2HD2 LEU 76 -1.274 6.101 7.573 635 H ILE 77 H ILE 77 -3.449 7.737 2.644 636 HA ILE 77 HA ILE 77 -2.214 9.304 0.454 637 HB ILE 77 HB ILE 77 -4.777 7.695 0.335 638 HG12 ILE 77 2HG1 ILE 77 -2.131 7.342 -1.110 639 HG13 ILE 77 1HG1 ILE 77 -2.729 6.324 0.196 640 HG21 ILE 77 1HG2 ILE 77 -5.010 9.755 -0.935 641 HG22 ILE 77 2HG2 ILE 77 -4.875 8.381 -2.028 642 HG23 ILE 77 3HG2 ILE 77 -3.489 9.440 -1.773 643 HD11 ILE 77 3HD1 ILE 77 -3.960 6.622 -2.536 644 HD12 ILE 77 1HD1 ILE 77 -4.600 5.629 -1.227 645 HD13 ILE 77 2HD1 ILE 77 -3.033 5.244 -1.940 646 H LYS 78 H LYS 78 -2.564 11.404 0.725 647 HA LYS 78 HA LYS 78 -5.021 12.341 2.083 648 HB2 LYS 78 2HB LYS 78 -2.408 13.840 1.803 649 HB3 LYS 78 1HB LYS 78 -3.778 14.272 2.814 650 HG2 LYS 78 2HG LYS 78 -3.359 12.426 4.288 651 HG3 LYS 78 1HG LYS 78 -2.121 11.785 3.203 652 HD2 LYS 78 2HD LYS 78 -0.855 13.944 3.556 653 HD3 LYS 78 1HD LYS 78 -2.022 14.336 4.821 654 HE2 LYS 78 2HE LYS 78 -1.363 12.398 6.095 655 HE3 LYS 78 1HE LYS 78 -0.322 11.838 4.785 656 HZ1 LYS 78 3HZ LYS 78 0.980 12.894 6.491 657 HZ2 LYS 78 1HZ LYS 78 0.055 14.308 6.393 658 HZ3 LYS 78 2HZ LYS 78 1.034 13.843 5.092 659 H ASP 79 H ASP 79 -6.005 14.313 1.308 660 HA ASP 79 HA ASP 79 -6.854 15.719 -0.275 661 HB2 ASP 79 2HB ASP 79 -4.484 16.605 0.020 662 HB3 ASP 79 1HB ASP 79 -4.059 15.732 -1.446 663 H VAL 80 H VAL 80 -6.989 12.885 -0.775 664 HA VAL 80 HA VAL 80 -6.342 12.276 -3.483 665 HB VAL 80 HB VAL 80 -6.621 10.610 -1.590 666 HG11 VAL 80 1HG1 VAL 80 -9.553 10.951 -2.192 667 HG12 VAL 80 2HG1 VAL 80 -8.741 11.445 -0.705 668 HG13 VAL 80 3HG1 VAL 80 -8.841 9.737 -1.132 669 HG21 VAL 80 3HG2 VAL 80 -8.133 10.073 -4.147 670 HG22 VAL 80 1HG2 VAL 80 -7.547 8.845 -3.022 671 HG23 VAL 80 2HG2 VAL 80 -6.400 9.866 -3.885 672 H ASN 81 H ASN 81 -7.542 12.454 -5.320 673 HA ASN 81 HA ASN 81 -10.373 13.280 -5.066 674 HB2 ASN 81 2HB ASN 81 -9.970 14.489 -7.307 675 HB3 ASN 81 1HB ASN 81 -9.344 15.236 -5.845 676 HD21 ASN 81 1HD2 ASN 81 -7.856 12.493 -7.492 677 HD22 ASN 81 2HD2 ASN 81 -6.431 13.340 -7.950 678 H LYS 82 H LYS 82 -11.423 13.005 -7.475 679 HA LYS 82 HA LYS 82 -11.874 10.300 -7.821 680 HB2 LYS 82 2HB LYS 82 -12.078 12.515 -9.872 681 HB3 LYS 82 1HB LYS 82 -12.726 10.899 -10.109 682 HG2 LYS 82 2HG LYS 82 -13.561 12.764 -7.892 683 HG3 LYS 82 1HG LYS 82 -14.412 12.586 -9.425 684 HD2 LYS 82 2HD LYS 82 -14.522 10.071 -8.816 685 HD3 LYS 82 1HD LYS 82 -14.126 10.605 -7.177 686 HE2 LYS 82 2HE LYS 82 -16.524 10.419 -7.405 687 HE3 LYS 82 1HE LYS 82 -16.086 12.118 -7.234 688 HZ1 LYS 82 3HZ LYS 82 -16.344 12.410 -9.603 689 HZ2 LYS 82 1HZ LYS 82 -17.761 11.737 -8.967 690 HZ3 LYS 82 2HZ LYS 82 -16.669 10.766 -9.815 691 H LYS 83 H LYS 83 -9.415 12.291 -9.392 692 HA LYS 83 HA LYS 83 -8.506 10.542 -11.362 693 HB2 LYS 83 2HB LYS 83 -6.891 12.522 -9.738 694 HB3 LYS 83 1HB LYS 83 -6.376 11.798 -11.254 695 HG2 LYS 83 2HG LYS 83 -8.826 13.524 -10.944 696 HG3 LYS 83 1HG LYS 83 -7.250 14.114 -11.469 697 HD2 LYS 83 2HD LYS 83 -8.645 11.859 -12.897 698 HD3 LYS 83 1HD LYS 83 -9.006 13.544 -13.267 699 HE2 LYS 83 2HE LYS 83 -7.365 12.767 -14.835 700 HE3 LYS 83 1HE LYS 83 -6.583 13.899 -13.735 701 HZ1 LYS 83 3HZ LYS 83 -5.586 12.081 -12.564 702 HZ2 LYS 83 1HZ LYS 83 -5.252 11.903 -14.210 703 HZ3 LYS 83 2HZ LYS 83 -6.437 10.944 -13.479 704 H ASP 84 H ASP 84 -7.960 10.403 -7.922 705 HA ASP 84 HA ASP 84 -5.696 8.573 -8.224 706 HB2 ASP 84 2HB ASP 84 -6.826 9.846 -5.719 707 HB3 ASP 84 1HB ASP 84 -5.354 8.876 -5.821 708 H ALA 85 H ALA 85 -9.000 8.214 -8.053 709 HA ALA 85 HA ALA 85 -9.003 5.881 -6.323 710 HB1 ALA 85 3HB ALA 85 -11.126 6.905 -8.219 711 HB2 ALA 85 1HB ALA 85 -11.013 7.266 -6.497 712 HB3 ALA 85 2HB ALA 85 -11.342 5.618 -7.033 713 H GLY 86 H GLY 86 -8.974 3.740 -6.958 714 HA2 GLY 86 2HA GLY 86 -9.320 2.753 -9.538 715 HA3 GLY 86 1HA GLY 86 -7.617 3.146 -9.382 716 H TRP 87 H TRP 87 -7.814 0.705 -9.924 717 HA TRP 87 HA TRP 87 -7.770 -0.875 -7.471 718 HB2 TRP 87 2HB TRP 87 -7.512 -1.543 -10.391 719 HB3 TRP 87 1HB TRP 87 -6.934 -2.682 -9.180 720 HD1 TRP 87 HD1 TRP 87 -10.140 -1.323 -10.700 721 HE1 TRP 87 HE1 TRP 87 -12.133 -2.663 -9.778 722 HE3 TRP 87 HE3 TRP 87 -7.714 -3.969 -7.066 723 HZ2 TRP 87 HZ2 TRP 87 -12.608 -4.603 -7.768 724 HZ3 TRP 87 HZ3 TRP 87 -8.999 -5.546 -5.689 725 HH2 TRP 87 HH2 TRP 87 -11.398 -5.857 -6.032 726 H TYR 88 H TYR 88 -6.035 -0.899 -6.245 727 HA TYR 88 HA TYR 88 -3.411 -0.155 -7.304 728 HB2 TYR 88 2HB TYR 88 -4.514 -0.418 -4.502 729 HB3 TYR 88 1HB TYR 88 -2.793 -0.220 -4.810 730 HD1 TYR 88 HD1 TYR 88 -6.075 1.418 -5.616 731 HD2 TYR 88 HD2 TYR 88 -1.907 1.921 -4.877 732 HE1 TYR 88 HE1 TYR 88 -6.357 3.862 -5.693 733 HE2 TYR 88 HE2 TYR 88 -2.182 4.360 -4.950 734 HH TYR 88 HH TYR 88 -5.319 5.870 -5.070 735 H THR 89 H THR 89 -1.565 -1.410 -7.001 736 HA THR 89 HA THR 89 -1.979 -4.251 -6.288 737 HB THR 89 HB THR 89 -0.066 -3.218 -8.409 738 HG1 THR 89 HG1 THR 89 -1.927 -3.111 -9.480 739 HG21 THR 89 3HG2 THR 89 0.677 -5.292 -7.318 740 HG22 THR 89 1HG2 THR 89 0.192 -5.594 -8.987 741 HG23 THR 89 2HG2 THR 89 -0.884 -6.037 -7.663 742 H VAL 90 H VAL 90 -0.864 -4.718 -4.463 743 HA VAL 90 HA VAL 90 1.594 -3.202 -3.894 744 HB VAL 90 HB VAL 90 -0.014 -3.022 -2.106 745 HG11 VAL 90 1HG1 VAL 90 0.035 -6.035 -1.939 746 HG12 VAL 90 2HG1 VAL 90 -1.313 -5.040 -2.493 747 HG13 VAL 90 3HG1 VAL 90 -0.786 -4.952 -0.813 748 HG21 VAL 90 3HG2 VAL 90 2.249 -4.858 -1.299 749 HG22 VAL 90 1HG2 VAL 90 1.340 -3.796 -0.222 750 HG23 VAL 90 2HG2 VAL 90 2.357 -3.108 -1.489 751 H SER 91 H SER 91 3.435 -4.140 -4.370 752 HA SER 91 HA SER 91 3.657 -7.087 -4.249 753 HB2 SER 91 2HB SER 91 5.241 -5.097 -5.903 754 HB3 SER 91 1HB SER 91 5.578 -6.826 -5.829 755 HG SER 91 HG SER 91 3.590 -7.234 -6.764 756 H ALA 92 H ALA 92 4.933 -7.941 -2.727 757 HA ALA 92 HA ALA 92 7.001 -6.235 -1.481 758 HB1 ALA 92 3HB ALA 92 5.568 -8.597 -0.258 759 HB2 ALA 92 1HB ALA 92 5.188 -6.903 0.054 760 HB3 ALA 92 2HB ALA 92 6.750 -7.559 0.542 761 H VAL 93 H VAL 93 9.008 -6.761 -2.134 762 HA VAL 93 HA VAL 93 9.554 -9.592 -2.792 763 HB VAL 93 HB VAL 93 9.567 -8.215 -4.801 764 HG11 VAL 93 1HG1 VAL 93 11.781 -6.640 -3.485 765 HG12 VAL 93 2HG1 VAL 93 10.149 -6.063 -3.824 766 HG13 VAL 93 3HG1 VAL 93 11.237 -6.460 -5.153 767 HG21 VAL 93 3HG2 VAL 93 12.338 -9.127 -4.001 768 HG22 VAL 93 1HG2 VAL 93 11.796 -8.821 -5.652 769 HG23 VAL 93 2HG2 VAL 93 11.073 -10.127 -4.715 770 H ASN 94 H ASN 94 10.863 -10.550 -1.453 771 HA ASN 94 HA ASN 94 13.022 -9.048 -0.114 772 HB2 ASN 94 2HB ASN 94 11.468 -9.965 1.489 773 HB3 ASN 94 1HB ASN 94 11.514 -11.542 0.714 774 HD21 ASN 94 1HD2 ASN 94 13.341 -9.266 2.630 775 HD22 ASN 94 2HD2 ASN 94 14.417 -10.428 3.299 776 H GLU 95 H GLU 95 15.082 -10.208 0.169 777 HA GLU 95 HA GLU 95 16.109 -11.331 -2.173 778 HB2 GLU 95 2HB GLU 95 18.069 -11.972 -0.771 779 HB3 GLU 95 1HB GLU 95 17.560 -10.304 -0.550 780 HG2 GLU 95 2HG GLU 95 16.394 -10.941 1.518 781 HG3 GLU 95 1HG GLU 95 16.947 -12.601 1.305 782 H ALA 96 H ALA 96 14.630 -12.905 0.574 783 HA ALA 96 HA ALA 96 15.284 -15.582 -0.147 784 HB1 ALA 96 3HB ALA 96 13.630 -16.214 1.538 785 HB2 ALA 96 1HB ALA 96 13.082 -14.539 1.633 786 HB3 ALA 96 2HB ALA 96 14.718 -14.962 2.141 787 H GLY 97 H GLY 97 12.504 -13.480 -0.843 788 HA2 GLY 97 2HA GLY 97 11.673 -14.909 -3.125 789 HA3 GLY 97 1HA GLY 97 10.714 -15.453 -1.757 790 H VAL 98 H VAL 98 9.093 -14.473 -3.484 791 HA VAL 98 HA VAL 98 8.531 -11.687 -2.681 792 HB VAL 98 HB VAL 98 9.698 -11.515 -4.802 793 HG11 VAL 98 1HG1 VAL 98 8.793 -12.502 -6.866 794 HG12 VAL 98 2HG1 VAL 98 7.569 -13.344 -5.917 795 HG13 VAL 98 3HG1 VAL 98 9.276 -13.733 -5.698 796 HG21 VAL 98 3HG2 VAL 98 7.893 -9.918 -4.374 797 HG22 VAL 98 1HG2 VAL 98 6.739 -10.999 -5.156 798 HG23 VAL 98 2HG2 VAL 98 8.038 -10.264 -6.098 799 H THR 99 H THR 99 6.386 -11.071 -2.598 800 HA THR 99 HA THR 99 4.306 -12.873 -3.610 801 HB THR 99 HB THR 99 4.553 -13.589 -1.293 802 HG1 THR 99 HG1 THR 99 2.458 -13.770 -1.637 803 HG21 THR 99 3HG2 THR 99 3.978 -10.716 -0.540 804 HG22 THR 99 1HG2 THR 99 5.526 -11.539 -0.357 805 HG23 THR 99 2HG2 THR 99 4.129 -12.070 0.580 806 H THR 100 H THR 100 2.354 -11.829 -4.146 807 HA THR 100 HA THR 100 2.288 -8.896 -3.817 808 HB THR 100 HB THR 100 1.911 -10.390 -6.425 809 HG1 THR 100 HG1 THR 100 3.840 -9.633 -6.862 810 HG21 THR 100 3HG2 THR 100 0.180 -8.673 -6.272 811 HG22 THR 100 1HG2 THR 100 1.411 -8.195 -7.440 812 HG23 THR 100 2HG2 THR 100 1.389 -7.467 -5.833 813 H CYS 101 H CYS 101 0.283 -7.955 -3.625 814 HA CYS 101 HA CYS 101 -2.138 -9.594 -3.981 815 HB2 CYS 101 2HB CYS 101 -1.592 -9.752 -1.594 816 HB3 CYS 101 1HB CYS 101 -1.505 -7.997 -1.480 817 HG CYS 101 HG CYS 101 -4.201 -7.543 -1.821 818 H ASN 102 H ASN 102 -4.167 -8.178 -3.920 819 HA ASN 102 HA ASN 102 -3.539 -5.499 -5.012 820 HB2 ASN 102 2HB ASN 102 -5.796 -7.386 -5.689 821 HB3 ASN 102 1HB ASN 102 -5.793 -5.691 -6.172 822 HD21 ASN 102 1HD2 ASN 102 -4.086 -4.969 -7.562 823 HD22 ASN 102 2HD2 ASN 102 -3.316 -6.085 -8.631 824 H THR 103 H THR 103 -4.939 -3.763 -4.598 825 HA THR 103 HA THR 103 -6.944 -4.033 -2.470 826 HB THR 103 HB THR 103 -4.796 -1.887 -2.346 827 HG1 THR 103 HG1 THR 103 -4.987 -4.425 -1.106 828 HG21 THR 103 3HG2 THR 103 -5.689 -1.468 -0.103 829 HG22 THR 103 1HG2 THR 103 -6.887 -2.746 -0.327 830 HG23 THR 103 2HG2 THR 103 -6.959 -1.286 -1.316 831 H ARG 104 H ARG 104 -8.567 -2.353 -2.557 832 HA ARG 104 HA ARG 104 -8.403 -0.716 -5.017 833 HB2 ARG 104 2HB ARG 104 -10.128 -2.503 -5.111 834 HB3 ARG 104 1HB ARG 104 -10.931 -1.768 -3.726 835 HG2 ARG 104 2HG ARG 104 -11.284 0.285 -5.028 836 HG3 ARG 104 1HG ARG 104 -10.483 -0.460 -6.411 837 HD2 ARG 104 2HD ARG 104 -12.239 -2.213 -6.428 838 HD3 ARG 104 1HD ARG 104 -13.057 -1.361 -5.115 839 HE ARG 104 HE ARG 104 -12.534 0.244 -7.454 840 HH11 ARG 104 1HH1 ARG 104 -14.771 -1.881 -5.924 841 HH12 ARG 104 2HH1 ARG 104 -16.130 -1.212 -6.750 842 HH21 ARG 104 1HH2 ARG 104 -14.275 1.068 -8.521 843 HH22 ARG 104 2HH2 ARG 104 -15.850 0.439 -8.205 844 H LEU 105 H LEU 105 -9.044 1.411 -4.986 845 HA LEU 105 HA LEU 105 -9.947 2.557 -2.423 846 HB2 LEU 105 2HB LEU 105 -7.560 3.009 -2.608 847 HB3 LEU 105 1HB LEU 105 -7.778 3.652 -4.225 848 HG LEU 105 HG LEU 105 -9.151 5.502 -3.259 849 HD11 LEU 105 1HD1 LEU 105 -9.095 5.914 -0.862 850 HD12 LEU 105 2HD1 LEU 105 -8.215 4.407 -0.605 851 HD13 LEU 105 3HD1 LEU 105 -9.872 4.370 -1.210 852 HD21 LEU 105 3HD2 LEU 105 -6.345 5.243 -2.172 853 HD22 LEU 105 1HD2 LEU 105 -7.256 6.746 -2.329 854 HD23 LEU 105 2HD2 LEU 105 -6.794 5.843 -3.770 855 H ASP 106 H ASP 106 -11.788 3.650 -2.687 856 HA ASP 106 HA ASP 106 -12.450 4.749 -5.347 857 HB2 ASP 106 2HB ASP 106 -14.199 3.775 -3.090 858 HB3 ASP 106 1HB ASP 106 -14.835 4.734 -4.420 859 H VAL 107 H VAL 107 -13.315 6.836 -5.523 860 HA VAL 107 HA VAL 107 -13.256 8.531 -3.110 861 HB VAL 107 HB VAL 107 -12.118 9.335 -5.805 862 HG11 VAL 107 1HG1 VAL 107 -12.257 10.863 -3.197 863 HG12 VAL 107 2HG1 VAL 107 -13.182 11.210 -4.661 864 HG13 VAL 107 3HG1 VAL 107 -11.428 11.402 -4.660 865 HG21 VAL 107 3HG2 VAL 107 -10.634 7.789 -4.628 866 HG22 VAL 107 1HG2 VAL 107 -10.704 8.800 -3.186 867 HG23 VAL 107 2HG2 VAL 107 -9.948 9.415 -4.658 868 H THR 108 H THR 108 -14.751 10.217 -3.069 869 HA THR 108 HA THR 108 -16.718 10.318 -5.278 870 HB THR 108 HB THR 108 -17.374 10.568 -2.329 871 HG1 THR 108 HG1 THR 108 -18.286 8.421 -3.906 872 HG21 THR 108 3HG2 THR 108 -19.711 10.427 -3.063 873 HG22 THR 108 1HG2 THR 108 -19.182 10.357 -4.746 874 HG23 THR 108 2HG2 THR 108 -18.901 11.815 -3.792 875 H ALA 109 H ALA 109 -17.594 12.372 -5.750 876 HA ALA 109 HA ALA 109 -15.867 14.580 -5.111 877 HB1 ALA 109 3HB ALA 109 -18.448 14.534 -6.679 878 HB2 ALA 109 1HB ALA 109 -16.830 14.316 -7.345 879 HB3 ALA 109 2HB ALA 109 -17.288 15.862 -6.629 880 H ARG 110 H ARG 110 -16.185 16.231 -3.710 881 HA ARG 110 HA ARG 110 -18.146 16.007 -1.663 882 HB2 ARG 110 2HB ARG 110 -16.148 18.151 -2.371 883 HB3 ARG 110 1HB ARG 110 -17.293 18.367 -1.055 884 HG2 ARG 110 2HG ARG 110 -16.390 16.364 0.045 885 HG3 ARG 110 1HG ARG 110 -15.220 16.182 -1.263 886 HD2 ARG 110 2HD ARG 110 -14.324 17.299 0.800 887 HD3 ARG 110 1HD ARG 110 -14.141 18.237 -0.682 888 HE ARG 110 HE ARG 110 -16.511 19.078 0.447 889 HH11 ARG 110 1HH1 ARG 110 -13.237 18.939 1.506 890 HH12 ARG 110 2HH1 ARG 110 -13.351 20.420 2.394 891 HH21 ARG 110 1HH2 ARG 110 -16.646 20.971 1.581 892 HH22 ARG 110 2HH2 ARG 110 -15.260 21.559 2.434 893 HA PRO 111 HA PRO 111 -21.539 18.237 -3.563 894 HB2 PRO 111 2HB PRO 111 -22.906 18.945 -1.313 895 HB3 PRO 111 1HB PRO 111 -22.907 17.303 -1.968 896 HG2 PRO 111 2HG PRO 111 -21.269 18.441 0.277 897 HG3 PRO 111 1HG PRO 111 -22.136 16.893 0.197 898 HD2 PRO 111 2HD PRO 111 -19.469 17.065 -0.208 899 HD3 PRO 111 1HD PRO 111 -20.479 15.887 -1.074 900 H ASN 112 H ASN 112 -19.513 19.665 -1.089 901 HA ASN 112 HA ASN 112 -19.439 22.176 -2.473 902 HB2 ASN 112 2HB ASN 112 -21.522 22.440 -1.156 903 HB3 ASN 112 1HB ASN 112 -20.616 22.130 0.322 904 HD21 ASN 112 1HD2 ASN 112 -21.117 24.149 1.177 905 HD22 ASN 112 2HD2 ASN 112 -20.399 25.602 0.585 906 H GLN 113 H GLN 113 -17.524 23.220 -2.095 907 HA GLN 113 HA GLN 113 -15.568 21.895 -0.442 908 HB2 GLN 113 2HB GLN 113 -15.343 24.426 -2.088 909 HB3 GLN 113 1HB GLN 113 -13.996 23.602 -1.310 910 HG2 GLN 113 2HG GLN 113 -15.740 22.515 -3.515 911 HG3 GLN 113 1HG GLN 113 -14.069 23.054 -3.663 912 HE21 GLN 113 1HE2 GLN 113 -12.420 21.747 -2.821 913 HE22 GLN 113 2HE2 GLN 113 -12.687 20.086 -2.437 914 H THR 114 H THR 114 -17.524 24.799 -0.195 915 HA THR 114 HA THR 114 -16.159 25.668 2.229 916 HB THR 114 HB THR 114 -17.873 27.459 2.330 917 HG1 THR 114 HG1 THR 114 -19.094 27.528 0.137 918 HG21 THR 114 3HG2 THR 114 -15.813 27.851 1.078 919 HG22 THR 114 1HG2 THR 114 -17.173 28.665 0.303 920 HG23 THR 114 2HG2 THR 114 -16.545 27.161 -0.373 921 H LEU 115 H LEU 115 -17.403 25.984 4.263 922 HA LEU 115 HA LEU 115 -18.333 24.946 6.057 923 HB2 LEU 115 2HB LEU 115 -20.532 24.479 4.034 924 HB3 LEU 115 1HB LEU 115 -20.697 24.082 5.733 925 HG LEU 115 HG LEU 115 -21.781 26.169 5.395 926 HD11 LEU 115 1HD1 LEU 115 -20.507 27.691 6.835 927 HD12 LEU 115 2HD1 LEU 115 -19.082 26.666 6.646 928 HD13 LEU 115 3HD1 LEU 115 -20.518 26.040 7.454 929 HD21 LEU 115 3HD2 LEU 115 -20.795 26.815 3.272 930 HD22 LEU 115 1HD2 LEU 115 -19.252 27.144 4.061 931 HD23 LEU 115 2HD2 LEU 115 -20.661 28.137 4.433 932 HA PRO 116 HA PRO 116 -16.990 20.700 4.676 933 HB2 PRO 116 2HB PRO 116 -14.665 20.967 6.385 934 HB3 PRO 116 1HB PRO 116 -14.730 20.821 4.627 935 HG2 PRO 116 2HG PRO 116 -13.942 23.099 5.938 936 HG3 PRO 116 1HG PRO 116 -14.642 23.087 4.309 937 HD2 PRO 116 2HD PRO 116 -15.966 23.687 6.936 938 HD3 PRO 116 1HD PRO 116 -16.135 24.516 5.372 Start of MODEL 7 1 H1 MET 1 1H MET 1 28.687 -36.280 17.162 2 H2 MET 1 2H MET 1 29.255 -34.693 17.038 3 H3 MET 1 3H MET 1 27.676 -35.066 16.559 4 HA MET 1 HA MET 1 27.081 -35.648 18.817 5 HB2 MET 1 2HB MET 1 28.626 -35.151 20.665 6 HB3 MET 1 1HB MET 1 29.289 -36.367 19.582 7 HG2 MET 1 2HG MET 1 30.695 -34.649 18.532 8 HG3 MET 1 1HG MET 1 30.049 -33.451 19.655 9 HE1 MET 1 3HE MET 1 33.696 -33.939 21.009 10 HE2 MET 1 1HE MET 1 32.495 -32.781 20.439 11 HE3 MET 1 2HE MET 1 33.192 -33.953 19.319 12 H GLY 2 H GLY 2 26.566 -33.960 20.532 13 HA2 GLY 2 2HA GLY 2 26.220 -31.720 21.179 14 HA3 GLY 2 1HA GLY 2 26.914 -31.189 19.655 15 H HIS 3 H HIS 3 24.360 -30.449 21.034 16 HA HIS 3 HA HIS 3 22.109 -31.509 19.794 17 HB2 HIS 3 2HB HIS 3 20.999 -29.340 20.309 18 HB3 HIS 3 1HB HIS 3 21.886 -30.004 21.674 19 HD1 HIS 3 HD1 HIS 3 23.990 -28.697 22.472 20 HD2 HIS 3 HD2 HIS 3 21.944 -26.896 19.334 21 HE1 HIS 3 HE1 HIS 3 24.911 -26.368 22.314 22 HE2 HIS 3 HE2 HIS 3 23.583 -25.263 20.487 23 H HIS 4 H HIS 4 21.381 -31.508 17.758 24 HA HIS 4 HA HIS 4 22.508 -29.566 15.848 25 HB2 HIS 4 2HB HIS 4 22.841 -31.455 14.226 26 HB3 HIS 4 1HB HIS 4 23.903 -31.506 15.628 27 HD1 HIS 4 HD1 HIS 4 21.641 -33.566 13.717 28 HD2 HIS 4 HD2 HIS 4 22.923 -33.437 17.660 29 HE1 HIS 4 HE1 HIS 4 21.076 -35.810 14.677 30 HE2 HIS 4 HE2 HIS 4 21.667 -35.624 17.114 31 H HIS 5 H HIS 5 19.731 -30.263 17.120 32 HA HIS 5 HA HIS 5 18.073 -30.831 14.836 33 HB2 HIS 5 2HB HIS 5 17.312 -31.363 17.108 34 HB3 HIS 5 1HB HIS 5 17.346 -29.656 17.533 35 HD1 HIS 5 HD1 HIS 5 15.162 -28.504 17.345 36 HD2 HIS 5 HD2 HIS 5 15.341 -31.851 14.890 37 HE1 HIS 5 HE1 HIS 5 12.893 -28.691 16.300 38 HE2 HIS 5 HE2 HIS 5 13.074 -30.616 14.697 39 H HIS 6 H HIS 6 19.350 -27.942 16.312 40 HA HIS 6 HA HIS 6 17.727 -26.013 15.055 41 HB2 HIS 6 2HB HIS 6 19.545 -24.424 15.524 42 HB3 HIS 6 1HB HIS 6 19.233 -25.457 16.915 43 HD1 HIS 6 HD1 HIS 6 21.921 -24.316 14.738 44 HD2 HIS 6 HD2 HIS 6 21.213 -27.602 17.182 45 HE1 HIS 6 HE1 HIS 6 24.167 -25.381 15.103 46 HE2 HIS 6 HE2 HIS 6 23.705 -27.410 16.519 47 H HIS 7 H HIS 7 17.793 -25.032 13.067 48 HA HIS 7 HA HIS 7 18.922 -26.410 10.894 49 HB2 HIS 7 2HB HIS 7 17.738 -23.635 11.081 50 HB3 HIS 7 1HB HIS 7 18.252 -24.359 9.559 51 HD1 HIS 7 HD1 HIS 7 15.249 -23.767 11.158 52 HD2 HIS 7 HD2 HIS 7 16.934 -27.233 9.604 53 HE1 HIS 7 HE1 HIS 7 13.328 -25.309 10.714 54 HE2 HIS 7 HE2 HIS 7 14.380 -27.452 9.936 55 H HIS 8 H HIS 8 20.551 -25.870 9.426 56 HA HIS 8 HA HIS 8 22.992 -25.244 10.716 57 HB2 HIS 8 2HB HIS 8 22.684 -26.891 8.865 58 HB3 HIS 8 1HB HIS 8 22.457 -25.548 7.753 59 HD1 HIS 8 HD1 HIS 8 25.037 -27.542 9.471 60 HD2 HIS 8 HD2 HIS 8 24.854 -24.062 7.206 61 HE1 HIS 8 HE1 HIS 8 27.400 -27.049 8.806 62 HE2 HIS 8 HE2 HIS 8 27.255 -25.022 7.334 63 H SER 9 H SER 9 20.775 -23.243 8.960 64 HA SER 9 HA SER 9 22.636 -21.352 7.938 65 HB2 SER 9 2HB SER 9 20.354 -21.622 7.016 66 HB3 SER 9 1HB SER 9 19.689 -20.932 8.497 67 HG SER 9 HG SER 9 20.092 -19.030 7.714 68 H HIS 10 H HIS 10 23.369 -19.423 8.704 69 HA HIS 10 HA HIS 10 23.428 -19.035 11.552 70 HB2 HIS 10 2HB HIS 10 24.456 -17.288 9.296 71 HB3 HIS 10 1HB HIS 10 24.773 -17.004 11.002 72 HD1 HIS 10 HD1 HIS 10 27.221 -17.458 11.165 73 HD2 HIS 10 HD2 HIS 10 25.213 -20.457 9.113 74 HE1 HIS 10 HE1 HIS 10 28.932 -19.232 10.724 75 HE2 HIS 10 HE2 HIS 10 27.737 -20.951 9.340 76 H GLU 11 H GLU 11 22.293 -16.905 8.907 77 HA GLU 11 HA GLU 11 20.552 -15.487 10.786 78 HB2 GLU 11 2HB GLU 11 21.280 -14.938 7.899 79 HB3 GLU 11 1HB GLU 11 20.158 -13.955 8.831 80 HG2 GLU 11 2HG GLU 11 21.939 -13.398 10.408 81 HG3 GLU 11 1HG GLU 11 23.065 -14.405 9.501 82 H HIS 12 H HIS 12 18.293 -15.046 10.172 83 HA HIS 12 HA HIS 12 17.065 -17.505 9.151 84 HB2 HIS 12 2HB HIS 12 15.828 -15.170 10.631 85 HB3 HIS 12 1HB HIS 12 15.020 -16.685 10.233 86 HD1 HIS 12 HD1 HIS 12 17.731 -15.296 12.461 87 HD2 HIS 12 HD2 HIS 12 15.525 -18.782 11.957 88 HE1 HIS 12 HE1 HIS 12 18.240 -16.709 14.467 89 HE2 HIS 12 HE2 HIS 12 17.011 -18.867 14.067 90 H LYS 13 H LYS 13 16.573 -17.536 7.028 91 HA LYS 13 HA LYS 13 15.718 -15.054 5.718 92 HB2 LYS 13 2HB LYS 13 16.489 -17.734 4.532 93 HB3 LYS 13 1HB LYS 13 15.999 -16.324 3.598 94 HG2 LYS 13 2HG LYS 13 17.926 -15.079 4.602 95 HG3 LYS 13 1HG LYS 13 18.448 -16.593 5.338 96 HD2 LYS 13 2HD LYS 13 19.671 -16.137 3.261 97 HD3 LYS 13 1HD LYS 13 18.693 -17.600 3.119 98 HE2 LYS 13 2HE LYS 13 17.061 -16.488 1.798 99 HE3 LYS 13 1HE LYS 13 17.741 -14.902 2.165 100 HZ1 LYS 13 3HZ LYS 13 18.273 -15.821 -0.081 101 HZ2 LYS 13 1HZ LYS 13 19.226 -16.989 0.677 102 HZ3 LYS 13 2HZ LYS 13 19.615 -15.347 0.826 103 H ARG 14 H ARG 14 13.659 -14.646 5.371 104 HA ARG 14 HA ARG 14 11.676 -16.835 5.386 105 HB2 ARG 14 2HB ARG 14 11.733 -15.783 7.600 106 HB3 ARG 14 1HB ARG 14 11.541 -14.197 6.875 107 HG2 ARG 14 2HG ARG 14 9.454 -14.850 7.824 108 HG3 ARG 14 1HG ARG 14 9.293 -14.891 6.070 109 HD2 ARG 14 2HD ARG 14 9.176 -17.200 6.000 110 HD3 ARG 14 1HD ARG 14 10.038 -17.398 7.526 111 HE ARG 14 HE ARG 14 7.821 -16.275 8.405 112 HH11 ARG 14 1HH1 ARG 14 8.080 -18.658 5.931 113 HH12 ARG 14 2HH1 ARG 14 6.645 -19.485 6.429 114 HH21 ARG 14 1HH2 ARG 14 5.998 -17.312 9.030 115 HH22 ARG 14 2HH2 ARG 14 5.462 -18.721 8.182 116 H ALA 15 H ALA 15 10.698 -16.809 3.439 117 HA ALA 15 HA ALA 15 10.585 -14.571 1.703 118 HB1 ALA 15 3HB ALA 15 8.897 -17.081 1.681 119 HB2 ALA 15 1HB ALA 15 10.461 -16.880 0.889 120 HB3 ALA 15 2HB ALA 15 9.071 -15.939 0.347 121 HA PRO 16 HA PRO 16 7.454 -12.122 3.538 122 HB2 PRO 16 2HB PRO 16 6.274 -11.015 1.296 123 HB3 PRO 16 1HB PRO 16 7.788 -10.462 2.015 124 HG2 PRO 16 2HG PRO 16 7.357 -12.285 -0.322 125 HG3 PRO 16 1HG PRO 16 8.535 -10.973 -0.127 126 HD2 PRO 16 2HD PRO 16 9.254 -13.541 0.161 127 HD3 PRO 16 1HD PRO 16 9.951 -12.270 1.187 128 H MET 17 H MET 17 5.640 -12.734 4.458 129 HA MET 17 HA MET 17 3.630 -14.245 2.906 130 HB2 MET 17 2HB MET 17 4.623 -15.748 4.476 131 HB3 MET 17 1HB MET 17 4.535 -14.565 5.772 132 HG2 MET 17 2HG MET 17 2.868 -16.327 6.029 133 HG3 MET 17 1HG MET 17 2.119 -14.745 5.814 134 HE1 MET 17 3HE MET 17 -0.517 -16.929 4.035 135 HE2 MET 17 1HE MET 17 -0.200 -15.689 5.249 136 HE3 MET 17 2HE MET 17 0.370 -17.340 5.503 137 H PHE 18 H PHE 18 1.761 -13.160 2.650 138 HA PHE 18 HA PHE 18 1.054 -10.880 4.240 139 HB2 PHE 18 2HB PHE 18 -0.358 -12.438 2.086 140 HB3 PHE 18 1HB PHE 18 -1.222 -11.213 3.006 141 HD1 PHE 18 HD1 PHE 18 -0.552 -8.849 2.855 142 HD2 PHE 18 HD2 PHE 18 1.238 -11.834 0.399 143 HE1 PHE 18 HE1 PHE 18 0.279 -7.100 1.341 144 HE2 PHE 18 HE2 PHE 18 2.071 -10.083 -1.117 145 HZ PHE 18 HZ PHE 18 1.593 -7.716 -0.646 146 H ILE 19 H ILE 19 0.616 -11.237 6.355 147 HA ILE 19 HA ILE 19 -0.940 -13.475 7.288 148 HB ILE 19 HB ILE 19 -0.345 -10.920 8.804 149 HG12 ILE 19 2HG1 ILE 19 1.328 -13.451 8.665 150 HG13 ILE 19 1HG1 ILE 19 1.751 -11.912 7.920 151 HG21 ILE 19 1HG2 ILE 19 -0.983 -13.726 9.732 152 HG22 ILE 19 2HG2 ILE 19 -2.050 -12.324 9.827 153 HG23 ILE 19 3HG2 ILE 19 -0.570 -12.373 10.786 154 HD11 ILE 19 3HD1 ILE 19 2.978 -12.214 9.970 155 HD12 ILE 19 1HD1 ILE 19 1.480 -12.456 10.869 156 HD13 ILE 19 2HD1 ILE 19 1.835 -10.883 10.152 157 H TYR 20 H TYR 20 -1.511 -10.097 6.544 158 HA TYR 20 HA TYR 20 -4.395 -10.630 6.336 159 HB2 TYR 20 2HB TYR 20 -3.233 -8.115 7.585 160 HB3 TYR 20 1HB TYR 20 -4.938 -8.429 7.293 161 HD1 TYR 20 HD1 TYR 20 -6.093 -10.238 8.633 162 HD2 TYR 20 HD2 TYR 20 -2.167 -8.876 9.554 163 HE1 TYR 20 HE1 TYR 20 -6.300 -11.174 10.896 164 HE2 TYR 20 HE2 TYR 20 -2.363 -9.822 11.811 165 HH TYR 20 HH TYR 20 -4.803 -11.977 12.704 166 H LYS 21 H LYS 21 -5.328 -9.656 4.526 167 HA LYS 21 HA LYS 21 -3.510 -8.080 2.829 168 HB2 LYS 21 2HB LYS 21 -5.119 -8.469 1.012 169 HB3 LYS 21 1HB LYS 21 -4.552 -9.975 1.714 170 HG2 LYS 21 2HG LYS 21 -6.611 -10.306 2.874 171 HG3 LYS 21 1HG LYS 21 -7.175 -8.688 2.451 172 HD2 LYS 21 2HD LYS 21 -6.625 -10.920 0.483 173 HD3 LYS 21 1HD LYS 21 -8.221 -10.439 1.063 174 HE2 LYS 21 2HE LYS 21 -6.306 -8.687 -0.491 175 HE3 LYS 21 1HE LYS 21 -7.731 -9.490 -1.151 176 HZ1 LYS 21 3HZ LYS 21 -7.735 -7.398 0.959 177 HZ2 LYS 21 1HZ LYS 21 -9.104 -8.191 0.369 178 HZ3 LYS 21 2HZ LYS 21 -8.202 -7.190 -0.652 179 HA PRO 22 HA PRO 22 -5.418 -4.266 4.026 180 HB2 PRO 22 2HB PRO 22 -5.023 -2.847 1.677 181 HB3 PRO 22 1HB PRO 22 -3.810 -3.068 2.942 182 HG2 PRO 22 2HG PRO 22 -4.173 -4.572 0.379 183 HG3 PRO 22 1HG PRO 22 -2.675 -4.013 1.144 184 HD2 PRO 22 2HD PRO 22 -3.441 -6.575 1.299 185 HD3 PRO 22 1HD PRO 22 -2.653 -5.768 2.672 186 H GLN 23 H GLN 23 -7.455 -3.463 4.025 187 HA GLN 23 HA GLN 23 -9.324 -4.546 2.052 188 HB2 GLN 23 2HB GLN 23 -11.074 -3.684 3.715 189 HB3 GLN 23 1HB GLN 23 -10.091 -5.056 4.192 190 HG2 GLN 23 2HG GLN 23 -10.213 -3.707 6.093 191 HG3 GLN 23 1HG GLN 23 -8.615 -3.396 5.424 192 HE21 GLN 23 1HE2 GLN 23 -8.488 -1.421 6.506 193 HE22 GLN 23 2HE2 GLN 23 -9.392 -0.042 5.998 194 H SER 24 H SER 24 -10.807 -3.323 0.916 195 HA SER 24 HA SER 24 -9.814 -0.818 -0.021 196 HB2 SER 24 2HB SER 24 -11.840 -0.844 -1.488 197 HB3 SER 24 1HB SER 24 -10.890 -2.326 -1.576 198 HG SER 24 HG SER 24 -13.451 -1.901 -0.592 199 H LYS 25 H LYS 25 -10.759 1.230 0.048 200 HA LYS 25 HA LYS 25 -12.951 1.707 1.957 201 HB2 LYS 25 2HB LYS 25 -10.245 3.072 1.978 202 HB3 LYS 25 1HB LYS 25 -11.642 3.677 2.853 203 HG2 LYS 25 2HG LYS 25 -10.765 0.872 3.371 204 HG3 LYS 25 1HG LYS 25 -9.785 2.188 4.012 205 HD2 LYS 25 2HD LYS 25 -11.327 1.555 5.717 206 HD3 LYS 25 1HD LYS 25 -11.865 3.108 5.079 207 HE2 LYS 25 2HE LYS 25 -13.790 1.726 5.369 208 HE3 LYS 25 1HE LYS 25 -13.490 1.857 3.638 209 HZ1 LYS 25 3HZ LYS 25 -12.380 -0.320 3.743 210 HZ2 LYS 25 1HZ LYS 25 -14.005 -0.405 4.213 211 HZ3 LYS 25 2HZ LYS 25 -12.783 -0.440 5.380 212 H LYS 26 H LYS 26 -14.066 3.753 1.624 213 HA LYS 26 HA LYS 26 -13.282 5.230 -0.797 214 HB2 LYS 26 2HB LYS 26 -15.596 5.488 -1.483 215 HB3 LYS 26 1HB LYS 26 -15.177 3.787 -1.374 216 HG2 LYS 26 2HG LYS 26 -16.334 3.655 0.797 217 HG3 LYS 26 1HG LYS 26 -16.793 5.354 0.635 218 HD2 LYS 26 2HD LYS 26 -17.990 4.800 -1.463 219 HD3 LYS 26 1HD LYS 26 -17.564 3.102 -1.235 220 HE2 LYS 26 2HE LYS 26 -19.833 3.482 -0.491 221 HE3 LYS 26 1HE LYS 26 -18.806 3.099 0.892 222 HZ1 LYS 26 3HZ LYS 26 -18.679 5.462 1.391 223 HZ2 LYS 26 1HZ LYS 26 -20.282 4.928 1.390 224 HZ3 LYS 26 2HZ LYS 26 -19.683 5.816 0.079 225 H VAL 27 H VAL 27 -13.275 7.385 -0.649 226 HA VAL 27 HA VAL 27 -14.547 8.698 1.672 227 HB VAL 27 HB VAL 27 -12.523 10.127 1.969 228 HG11 VAL 27 1HG1 VAL 27 -11.174 8.454 3.172 229 HG12 VAL 27 2HG1 VAL 27 -12.071 7.164 2.371 230 HG13 VAL 27 3HG1 VAL 27 -12.901 8.256 3.480 231 HG21 VAL 27 3HG2 VAL 27 -10.378 9.372 1.028 232 HG22 VAL 27 1HG2 VAL 27 -11.521 9.837 -0.232 233 HG23 VAL 27 2HG2 VAL 27 -11.226 8.132 0.104 234 H LEU 28 H LEU 28 -14.145 11.249 1.370 235 HA LEU 28 HA LEU 28 -15.268 11.879 -1.253 236 HB2 LEU 28 2HB LEU 28 -14.926 13.603 1.208 237 HB3 LEU 28 1HB LEU 28 -15.723 14.111 -0.267 238 HG LEU 28 HG LEU 28 -16.672 11.872 1.534 239 HD11 LEU 28 1HD1 LEU 28 -17.716 14.687 1.183 240 HD12 LEU 28 2HD1 LEU 28 -16.907 14.044 2.614 241 HD13 LEU 28 3HD1 LEU 28 -18.482 13.414 2.136 242 HD21 LEU 28 3HD2 LEU 28 -17.299 11.503 -0.784 243 HD22 LEU 28 1HD2 LEU 28 -17.937 13.143 -0.899 244 HD23 LEU 28 2HD2 LEU 28 -18.713 11.964 0.161 245 H GLU 29 H GLU 29 -14.539 13.998 -2.288 246 HA GLU 29 HA GLU 29 -11.754 13.779 -2.862 247 HB2 GLU 29 2HB GLU 29 -13.773 15.865 -3.713 248 HB3 GLU 29 1HB GLU 29 -12.116 15.800 -4.303 249 HG2 GLU 29 2HG GLU 29 -12.645 13.434 -5.080 250 HG3 GLU 29 1HG GLU 29 -14.336 13.826 -4.768 251 H GLY 30 H GLY 30 -10.182 14.485 -1.616 252 HA2 GLY 30 2HA GLY 30 -9.003 16.482 -0.793 253 HA3 GLY 30 1HA GLY 30 -10.537 17.032 -0.138 254 H ASP 31 H ASP 31 -10.898 14.003 0.578 255 HA ASP 31 HA ASP 31 -9.942 14.305 3.286 256 HB2 ASP 31 2HB ASP 31 -11.570 12.163 1.910 257 HB3 ASP 31 1HB ASP 31 -11.122 12.095 3.613 258 H SER 32 H SER 32 -9.254 12.004 4.286 259 HA SER 32 HA SER 32 -6.936 11.031 2.728 260 HB2 SER 32 2HB SER 32 -5.645 10.932 4.838 261 HB3 SER 32 1HB SER 32 -6.149 12.578 4.451 262 HG SER 32 HG SER 32 -6.879 12.534 6.428 263 H VAL 33 H VAL 33 -6.170 8.904 3.258 264 HA VAL 33 HA VAL 33 -7.977 7.191 4.815 265 HB VAL 33 HB VAL 33 -8.741 7.062 2.466 266 HG11 VAL 33 1HG1 VAL 33 -6.632 7.544 1.338 267 HG12 VAL 33 2HG1 VAL 33 -7.328 6.034 0.749 268 HG13 VAL 33 3HG1 VAL 33 -5.974 5.999 1.878 269 HG21 VAL 33 3HG2 VAL 33 -8.707 4.610 2.257 270 HG22 VAL 33 1HG2 VAL 33 -9.021 5.119 3.917 271 HG23 VAL 33 2HG2 VAL 33 -7.422 4.529 3.464 272 H LYS 34 H LYS 34 -7.006 5.365 5.723 273 HA LYS 34 HA LYS 34 -4.094 5.060 5.303 274 HB2 LYS 34 2HB LYS 34 -4.040 4.123 7.632 275 HB3 LYS 34 1HB LYS 34 -4.482 5.824 7.546 276 HG2 LYS 34 2HG LYS 34 -6.848 5.213 7.798 277 HG3 LYS 34 1HG LYS 34 -6.395 3.514 7.914 278 HD2 LYS 34 2HD LYS 34 -5.389 5.634 9.821 279 HD3 LYS 34 1HD LYS 34 -6.852 4.695 10.106 280 HE2 LYS 34 2HE LYS 34 -5.204 3.559 11.311 281 HE3 LYS 34 1HE LYS 34 -5.358 2.626 9.825 282 HZ1 LYS 34 3HZ LYS 34 -3.057 2.921 10.365 283 HZ2 LYS 34 1HZ LYS 34 -3.232 4.599 10.465 284 HZ3 LYS 34 2HZ LYS 34 -3.395 3.819 8.977 285 H LEU 35 H LEU 35 -3.569 3.264 4.234 286 HA LEU 35 HA LEU 35 -5.248 0.845 4.546 287 HB2 LEU 35 2HB LEU 35 -3.396 1.592 2.269 288 HB3 LEU 35 1HB LEU 35 -4.362 0.130 2.361 289 HG LEU 35 HG LEU 35 -5.462 2.943 2.177 290 HD11 LEU 35 1HD1 LEU 35 -5.323 0.762 0.098 291 HD12 LEU 35 2HD1 LEU 35 -4.398 2.263 0.102 292 HD13 LEU 35 3HD1 LEU 35 -6.151 2.310 -0.084 293 HD21 LEU 35 3HD2 LEU 35 -6.888 0.278 2.110 294 HD22 LEU 35 1HD2 LEU 35 -7.629 1.859 1.851 295 HD23 LEU 35 2HD2 LEU 35 -6.946 1.455 3.425 296 H GLU 36 H GLU 36 -4.319 -0.654 5.865 297 HA GLU 36 HA GLU 36 -1.404 -1.019 5.720 298 HB2 GLU 36 2HB GLU 36 -1.296 -1.204 8.201 299 HB3 GLU 36 1HB GLU 36 -1.693 0.407 7.620 300 HG2 GLU 36 2HG GLU 36 -4.042 0.042 8.151 301 HG3 GLU 36 1HG GLU 36 -3.675 -1.597 8.694 302 H CYS 37 H CYS 37 -0.591 -3.021 6.427 303 HA CYS 37 HA CYS 37 -2.398 -5.175 7.158 304 HB2 CYS 37 2HB CYS 37 -1.772 -6.607 5.254 305 HB3 CYS 37 1HB CYS 37 -2.617 -5.161 4.715 306 HG CYS 37 HG CYS 37 0.241 -6.314 3.712 307 H GLN 38 H GLN 38 -1.118 -7.297 7.394 308 HA GLN 38 HA GLN 38 1.558 -6.681 8.488 309 HB2 GLN 38 2HB GLN 38 -0.366 -8.914 9.196 310 HB3 GLN 38 1HB GLN 38 1.246 -8.734 9.872 311 HG2 GLN 38 2HG GLN 38 -0.983 -6.724 10.168 312 HG3 GLN 38 1HG GLN 38 -0.541 -7.939 11.365 313 HE21 GLN 38 1HE2 GLN 38 2.327 -7.640 10.868 314 HE22 GLN 38 2HE2 GLN 38 2.774 -6.148 11.599 315 H ILE 39 H ILE 39 3.266 -7.455 7.410 316 HA ILE 39 HA ILE 39 2.982 -9.955 5.848 317 HB ILE 39 HB ILE 39 4.808 -7.612 5.229 318 HG12 ILE 39 2HG1 ILE 39 2.352 -8.612 3.755 319 HG13 ILE 39 1HG1 ILE 39 2.450 -7.127 4.697 320 HG21 ILE 39 1HG2 ILE 39 4.379 -10.202 3.730 321 HG22 ILE 39 2HG2 ILE 39 5.829 -9.739 4.623 322 HG23 ILE 39 3HG2 ILE 39 5.362 -8.846 3.176 323 HD11 ILE 39 3HD1 ILE 39 4.117 -6.256 3.129 324 HD12 ILE 39 1HD1 ILE 39 2.601 -6.666 2.327 325 HD13 ILE 39 2HD1 ILE 39 3.991 -7.740 2.183 326 H SER 40 H SER 40 4.302 -11.587 6.473 327 HA SER 40 HA SER 40 6.493 -11.025 8.338 328 HB2 SER 40 2HB SER 40 5.005 -12.860 8.950 329 HB3 SER 40 1HB SER 40 5.296 -13.652 7.401 330 HG SER 40 HG SER 40 7.052 -13.325 9.590 331 H ALA 41 H ALA 41 8.196 -10.249 7.174 332 HA ALA 41 HA ALA 41 9.470 -12.149 5.316 333 HB1 ALA 41 3HB ALA 41 10.237 -10.290 3.906 334 HB2 ALA 41 1HB ALA 41 9.309 -9.163 4.897 335 HB3 ALA 41 2HB ALA 41 8.478 -10.395 3.949 336 H ILE 42 H ILE 42 11.579 -12.556 5.780 337 HA ILE 42 HA ILE 42 13.076 -10.579 7.385 338 HB ILE 42 HB ILE 42 13.214 -13.565 7.884 339 HG12 ILE 42 2HG1 ILE 42 11.943 -11.393 9.583 340 HG13 ILE 42 1HG1 ILE 42 11.062 -12.605 8.655 341 HG21 ILE 42 1HG2 ILE 42 14.568 -12.911 9.839 342 HG22 ILE 42 2HG2 ILE 42 14.481 -11.227 9.323 343 HG23 ILE 42 3HG2 ILE 42 15.313 -12.416 8.320 344 HD11 ILE 42 3HD1 ILE 42 12.905 -13.144 10.975 345 HD12 ILE 42 1HD1 ILE 42 12.039 -14.365 10.042 346 HD13 ILE 42 2HD1 ILE 42 11.143 -13.188 11.002 347 HA PRO 43 HA PRO 43 14.606 -9.435 7.285 348 HB2 PRO 43 2HB PRO 43 16.059 -7.741 5.802 349 HB3 PRO 43 1HB PRO 43 16.831 -8.996 6.780 350 HG2 PRO 43 2HG PRO 43 16.235 -8.994 3.836 351 HG3 PRO 43 1HG PRO 43 17.726 -9.472 4.671 352 HD2 PRO 43 2HD PRO 43 15.832 -11.262 3.821 353 HD3 PRO 43 1HD PRO 43 16.902 -11.556 5.208 354 HA PRO 44 HA PRO 44 11.220 -7.115 5.532 355 HB2 PRO 44 2HB PRO 44 12.995 -4.708 5.806 356 HB3 PRO 44 1HB PRO 44 11.300 -4.913 6.271 357 HG2 PRO 44 2HG PRO 44 13.196 -5.032 8.121 358 HG3 PRO 44 1HG PRO 44 11.837 -6.173 8.167 359 HD2 PRO 44 2HD PRO 44 14.669 -6.629 7.336 360 HD3 PRO 44 1HD PRO 44 13.537 -7.731 8.147 361 HA PRO 45 HA PRO 45 12.539 -6.782 1.274 362 HB2 PRO 45 2HB PRO 45 10.164 -7.102 0.145 363 HB3 PRO 45 1HB PRO 45 10.850 -8.391 1.143 364 HG2 PRO 45 2HG PRO 45 8.733 -6.391 1.825 365 HG3 PRO 45 1HG PRO 45 8.820 -8.112 2.237 366 HD2 PRO 45 2HD PRO 45 9.579 -5.984 3.902 367 HD3 PRO 45 1HD PRO 45 10.012 -7.688 4.132 368 H LYS 46 H LYS 46 12.032 -5.517 -0.723 369 HA LYS 46 HA LYS 46 11.392 -2.742 -0.160 370 HB2 LYS 46 2HB LYS 46 13.221 -3.383 -1.738 371 HB3 LYS 46 1HB LYS 46 12.011 -4.059 -2.821 372 HG2 LYS 46 2HG LYS 46 12.736 -1.831 -3.528 373 HG3 LYS 46 1HG LYS 46 11.014 -1.868 -3.131 374 HD2 LYS 46 2HD LYS 46 11.547 -0.946 -0.893 375 HD3 LYS 46 1HD LYS 46 13.242 -0.836 -1.366 376 HE2 LYS 46 2HE LYS 46 12.727 0.782 -3.068 377 HE3 LYS 46 1HE LYS 46 10.994 0.555 -2.822 378 HZ1 LYS 46 3HZ LYS 46 11.243 1.439 -0.582 379 HZ2 LYS 46 1HZ LYS 46 11.762 2.556 -1.741 380 HZ3 LYS 46 2HZ LYS 46 12.894 1.684 -0.845 381 H LEU 47 H LEU 47 9.524 -1.665 -0.742 382 HA LEU 47 HA LEU 47 7.272 -3.411 -1.515 383 HB2 LEU 47 2HB LEU 47 7.224 -0.798 0.007 384 HB3 LEU 47 1HB LEU 47 5.854 -1.858 -0.280 385 HG LEU 47 HG LEU 47 8.288 -2.609 1.362 386 HD11 LEU 47 1HD1 LEU 47 5.532 -1.780 2.281 387 HD12 LEU 47 2HD1 LEU 47 7.006 -0.824 2.440 388 HD13 LEU 47 3HD1 LEU 47 6.846 -2.347 3.312 389 HD21 LEU 47 3HD2 LEU 47 7.189 -4.536 0.353 390 HD22 LEU 47 1HD2 LEU 47 5.628 -3.995 0.973 391 HD23 LEU 47 2HD2 LEU 47 6.896 -4.500 2.091 392 H PHE 48 H PHE 48 6.250 -3.051 -3.395 393 HA PHE 48 HA PHE 48 6.487 -0.393 -4.674 394 HB2 PHE 48 2HB PHE 48 6.300 -3.117 -5.987 395 HB3 PHE 48 1HB PHE 48 6.270 -1.585 -6.853 396 HD1 PHE 48 HD1 PHE 48 8.288 -0.144 -6.888 397 HD2 PHE 48 HD2 PHE 48 8.351 -4.071 -5.234 398 HE1 PHE 48 HE1 PHE 48 10.744 -0.161 -7.029 399 HE2 PHE 48 HE2 PHE 48 10.806 -4.089 -5.372 400 HZ PHE 48 HZ PHE 48 12.004 -2.136 -6.269 401 H TRP 49 H TRP 49 4.608 0.679 -4.718 402 HA TRP 49 HA TRP 49 2.083 -0.837 -4.949 403 HB2 TRP 49 2HB TRP 49 2.675 1.908 -3.831 404 HB3 TRP 49 1HB TRP 49 1.040 1.399 -4.237 405 HD1 TRP 49 HD1 TRP 49 3.900 0.530 -1.806 406 HE1 TRP 49 HE1 TRP 49 2.883 -0.640 0.248 407 HE3 TRP 49 HE3 TRP 49 -0.926 0.109 -3.421 408 HZ2 TRP 49 HZ2 TRP 49 0.359 -1.605 1.082 409 HZ3 TRP 49 HZ3 TRP 49 -2.582 -0.948 -1.940 410 HH2 TRP 49 HH2 TRP 49 -1.955 -1.788 0.263 411 H LYS 50 H LYS 50 1.026 -0.769 -6.830 412 HA LYS 50 HA LYS 50 1.477 1.512 -8.654 413 HB2 LYS 50 2HB LYS 50 2.751 -0.394 -9.459 414 HB3 LYS 50 1HB LYS 50 1.333 -1.429 -9.363 415 HG2 LYS 50 2HG LYS 50 0.291 -0.309 -11.180 416 HG3 LYS 50 1HG LYS 50 1.499 0.976 -11.164 417 HD2 LYS 50 2HD LYS 50 1.985 -0.494 -13.003 418 HD3 LYS 50 1HD LYS 50 3.228 -0.716 -11.775 419 HE2 LYS 50 2HE LYS 50 0.825 -2.523 -12.054 420 HE3 LYS 50 1HE LYS 50 2.357 -2.828 -12.862 421 HZ1 LYS 50 3HZ LYS 50 1.870 -2.756 -9.934 422 HZ2 LYS 50 1HZ LYS 50 3.408 -2.842 -10.631 423 HZ3 LYS 50 2HZ LYS 50 2.299 -4.092 -10.869 424 H ARG 51 H ARG 51 -0.307 2.453 -9.421 425 HA ARG 51 HA ARG 51 -2.940 1.261 -8.782 426 HB2 ARG 51 2HB ARG 51 -2.584 3.317 -7.581 427 HB3 ARG 51 1HB ARG 51 -2.026 4.131 -9.037 428 HG2 ARG 51 2HG ARG 51 -4.366 3.708 -9.971 429 HG3 ARG 51 1HG ARG 51 -4.821 3.314 -8.313 430 HD2 ARG 51 2HD ARG 51 -4.471 5.487 -7.563 431 HD3 ARG 51 1HD ARG 51 -3.397 5.887 -8.907 432 HE ARG 51 HE ARG 51 -6.244 6.130 -8.850 433 HH11 ARG 51 1HH1 ARG 51 -3.533 5.593 -10.903 434 HH12 ARG 51 2HH1 ARG 51 -4.341 6.160 -12.317 435 HH21 ARG 51 1HH2 ARG 51 -7.292 6.831 -10.678 436 HH22 ARG 51 2HH2 ARG 51 -6.455 6.835 -12.195 437 H ASN 52 H ASN 52 -3.977 0.460 -10.553 438 HA ASN 52 HA ASN 52 -4.799 0.247 -12.676 439 HB2 ASN 52 2HB ASN 52 -4.443 3.255 -12.711 440 HB3 ASN 52 1HB ASN 52 -5.394 2.335 -13.867 441 HD21 ASN 52 1HD2 ASN 52 -6.362 4.428 -12.256 442 HD22 ASN 52 2HD2 ASN 52 -7.563 3.770 -11.207 443 H ASN 53 H ASN 53 -2.049 -0.242 -12.439 444 HA ASN 53 HA ASN 53 -0.210 -0.662 -13.707 445 HB2 ASN 53 2HB ASN 53 -1.804 0.581 -15.964 446 HB3 ASN 53 1HB ASN 53 -0.265 -0.253 -16.161 447 HD21 ASN 53 1HD2 ASN 53 -2.950 -0.858 -17.212 448 HD22 ASN 53 2HD2 ASN 53 -3.281 -2.476 -16.708 449 H GLU 54 H GLU 54 -1.193 2.328 -12.828 450 HA GLU 54 HA GLU 54 1.105 3.769 -13.951 451 HB2 GLU 54 2HB GLU 54 -1.187 4.779 -12.240 452 HB3 GLU 54 1HB GLU 54 0.059 5.777 -12.977 453 HG2 GLU 54 2HG GLU 54 -0.731 5.191 -15.195 454 HG3 GLU 54 1HG GLU 54 -1.922 4.091 -14.505 455 H MET 55 H MET 55 2.802 4.518 -12.715 456 HA MET 55 HA MET 55 3.293 3.159 -10.226 457 HB2 MET 55 2HB MET 55 5.064 3.540 -11.923 458 HB3 MET 55 1HB MET 55 4.951 5.268 -11.629 459 HG2 MET 55 2HG MET 55 6.743 4.786 -10.318 460 HG3 MET 55 1HG MET 55 5.463 4.520 -9.141 461 HE1 MET 55 3HE MET 55 5.299 0.634 -8.882 462 HE2 MET 55 1HE MET 55 4.259 1.648 -9.885 463 HE3 MET 55 2HE MET 55 4.710 2.176 -8.263 464 H VAL 56 H VAL 56 2.969 3.899 -8.198 465 HA VAL 56 HA VAL 56 1.912 6.570 -7.777 466 HB VAL 56 HB VAL 56 2.481 4.397 -5.740 467 HG11 VAL 56 1HG1 VAL 56 0.762 6.876 -5.532 468 HG12 VAL 56 2HG1 VAL 56 2.312 6.622 -4.731 469 HG13 VAL 56 3HG1 VAL 56 0.921 5.627 -4.298 470 HG21 VAL 56 3HG2 VAL 56 0.887 3.634 -7.426 471 HG22 VAL 56 1HG2 VAL 56 -0.094 5.077 -7.171 472 HG23 VAL 56 2HG2 VAL 56 0.081 3.890 -5.878 473 H GLN 57 H GLN 57 2.922 8.265 -6.760 474 HA GLN 57 HA GLN 57 5.804 7.964 -6.201 475 HB2 GLN 57 2HB GLN 57 5.925 10.423 -6.491 476 HB3 GLN 57 1HB GLN 57 5.320 9.598 -7.920 477 HG2 GLN 57 2HG GLN 57 3.039 10.235 -7.347 478 HG3 GLN 57 1HG GLN 57 3.615 11.020 -5.878 479 HE21 GLN 57 1HE2 GLN 57 5.291 11.159 -8.949 480 HE22 GLN 57 2HE2 GLN 57 5.024 12.843 -9.219 481 H PHE 58 H PHE 58 6.667 8.443 -4.228 482 HA PHE 58 HA PHE 58 4.772 9.224 -2.087 483 HB2 PHE 58 2HB PHE 58 7.288 7.563 -1.780 484 HB3 PHE 58 1HB PHE 58 6.047 7.847 -0.565 485 HD1 PHE 58 HD1 PHE 58 3.680 6.967 -1.076 486 HD2 PHE 58 HD2 PHE 58 7.165 5.698 -3.173 487 HE1 PHE 58 HE1 PHE 58 2.494 4.948 -1.826 488 HE2 PHE 58 HE2 PHE 58 5.979 3.680 -3.925 489 HZ PHE 58 HZ PHE 58 3.640 3.304 -3.254 490 H ASN 59 H ASN 59 6.513 10.996 -3.776 491 HA ASN 59 HA ASN 59 8.571 11.928 -1.937 492 HB2 ASN 59 2HB ASN 59 9.190 13.470 -3.753 493 HB3 ASN 59 1HB ASN 59 9.096 11.806 -4.319 494 HD21 ASN 59 1HD2 ASN 59 7.687 14.961 -4.471 495 HD22 ASN 59 2HD2 ASN 59 6.623 14.644 -5.796 496 H THR 60 H THR 60 5.302 12.541 -2.295 497 HA THR 60 HA THR 60 5.533 15.390 -1.554 498 HB THR 60 HB THR 60 4.135 15.217 -3.461 499 HG1 THR 60 HG1 THR 60 2.657 16.447 -2.584 500 HG21 THR 60 3HG2 THR 60 3.685 12.814 -3.411 501 HG22 THR 60 1HG2 THR 60 2.186 13.722 -3.598 502 HG23 THR 60 2HG2 THR 60 2.609 13.033 -2.033 503 H ASP 61 H ASP 61 3.922 16.235 -0.001 504 HA ASP 61 HA ASP 61 3.933 14.688 2.403 505 HB2 ASP 61 2HB ASP 61 4.205 17.135 2.409 506 HB3 ASP 61 1HB ASP 61 2.569 17.326 1.788 507 H ARG 62 H ARG 62 1.727 15.017 -0.208 508 HA ARG 62 HA ARG 62 -0.681 14.289 1.148 509 HB2 ARG 62 2HB ARG 62 0.109 14.098 -1.763 510 HB3 ARG 62 1HB ARG 62 -1.500 13.724 -1.162 511 HG2 ARG 62 2HG ARG 62 -1.710 16.037 -0.343 512 HG3 ARG 62 1HG ARG 62 -0.118 16.400 -1.018 513 HD2 ARG 62 2HD ARG 62 -1.949 17.112 -2.511 514 HD3 ARG 62 1HD ARG 62 -0.918 15.888 -3.257 515 HE ARG 62 HE ARG 62 -3.277 14.863 -1.931 516 HH11 ARG 62 1HH1 ARG 62 -1.936 15.979 -4.913 517 HH12 ARG 62 2HH1 ARG 62 -3.150 15.196 -5.866 518 HH21 ARG 62 1HH2 ARG 62 -4.797 13.840 -3.184 519 HH22 ARG 62 2HH2 ARG 62 -4.730 13.975 -4.904 520 H ILE 63 H ILE 63 1.792 12.422 -0.583 521 HA ILE 63 HA ILE 63 0.393 9.921 0.162 522 HB ILE 63 HB ILE 63 2.190 10.307 -2.247 523 HG12 ILE 63 2HG1 ILE 63 0.157 11.650 -2.520 524 HG13 ILE 63 1HG1 ILE 63 0.146 10.272 -3.615 525 HG21 ILE 63 1HG2 ILE 63 1.277 8.155 -2.981 526 HG22 ILE 63 2HG2 ILE 63 0.340 8.038 -1.491 527 HG23 ILE 63 3HG2 ILE 63 2.103 8.011 -1.430 528 HD11 ILE 63 3HD1 ILE 63 -2.043 10.651 -2.650 529 HD12 ILE 63 1HD1 ILE 63 -1.376 10.482 -1.026 530 HD13 ILE 63 2HD1 ILE 63 -1.390 9.100 -2.123 531 H SER 64 H SER 64 1.530 8.501 1.389 532 HA SER 64 HA SER 64 4.443 8.419 1.198 533 HB2 SER 64 2HB SER 64 4.780 8.582 3.630 534 HB3 SER 64 1HB SER 64 4.058 10.055 2.986 535 HG SER 64 HG SER 64 3.095 8.335 4.849 536 H LEU 65 H LEU 65 5.399 6.537 2.092 537 HA LEU 65 HA LEU 65 3.577 4.367 2.899 538 HB2 LEU 65 2HB LEU 65 3.952 4.063 0.520 539 HB3 LEU 65 1HB LEU 65 5.683 4.242 0.732 540 HG LEU 65 HG LEU 65 5.654 2.132 2.107 541 HD11 LEU 65 1HD1 LEU 65 3.736 0.641 1.900 542 HD12 LEU 65 2HD1 LEU 65 2.841 1.896 1.044 543 HD13 LEU 65 3HD1 LEU 65 3.303 2.135 2.730 544 HD21 LEU 65 3HD2 LEU 65 5.516 0.644 0.167 545 HD22 LEU 65 1HD2 LEU 65 6.382 2.130 -0.215 546 HD23 LEU 65 2HD2 LEU 65 4.716 1.917 -0.757 547 H TYR 66 H TYR 66 4.341 3.250 4.641 548 HA TYR 66 HA TYR 66 7.238 3.072 5.031 549 HB2 TYR 66 2HB TYR 66 7.180 3.765 7.335 550 HB3 TYR 66 1HB TYR 66 6.464 5.030 6.351 551 HD1 TYR 66 HD2 TYR 66 4.045 5.493 6.477 552 HD2 TYR 66 HD1 TYR 66 5.868 2.558 8.969 553 HE1 TYR 66 HE2 TYR 66 2.074 5.521 7.948 554 HE2 TYR 66 HE1 TYR 66 3.906 2.586 10.446 555 HH TYR 66 HH TYR 66 2.073 4.140 11.032 556 H GLN 67 H GLN 67 7.925 1.403 6.468 557 HA GLN 67 HA GLN 67 5.888 -0.668 7.001 558 HB2 GLN 67 2HB GLN 67 7.778 -2.326 6.689 559 HB3 GLN 67 1HB GLN 67 7.235 -1.508 5.231 560 HG2 GLN 67 2HG GLN 67 9.147 0.013 5.360 561 HG3 GLN 67 1HG GLN 67 9.687 -0.787 6.836 562 HE21 GLN 67 1HE2 GLN 67 9.346 -1.082 3.382 563 HE22 GLN 67 2HE2 GLN 67 10.377 -2.456 3.206 564 H ASP 68 H ASP 68 5.690 -1.236 9.077 565 HA ASP 68 HA ASP 68 7.375 0.068 11.034 566 HB2 ASP 68 2HB ASP 68 4.883 0.033 11.193 567 HB3 ASP 68 1HB ASP 68 4.958 -1.705 11.468 568 H ASN 69 H ASN 69 8.155 -1.076 12.971 569 HA ASN 69 HA ASN 69 9.938 -3.124 12.417 570 HB2 ASN 69 2HB ASN 69 10.108 -1.623 14.367 571 HB3 ASN 69 1HB ASN 69 8.716 -2.412 15.099 572 HD21 ASN 69 1HD2 ASN 69 12.089 -2.633 14.406 573 HD22 ASN 69 2HD2 ASN 69 12.397 -4.061 15.331 574 H THR 70 H THR 70 6.605 -3.347 13.568 575 HA THR 70 HA THR 70 6.713 -6.133 14.231 576 HB THR 70 HB THR 70 5.034 -4.611 15.231 577 HG1 THR 70 HG1 THR 70 3.180 -6.102 14.776 578 HG21 THR 70 3HG2 THR 70 3.746 -4.673 12.492 579 HG22 THR 70 1HG2 THR 70 4.494 -3.268 13.251 580 HG23 THR 70 2HG2 THR 70 3.038 -3.978 13.950 581 H GLY 71 H GLY 71 6.923 -4.725 11.264 582 HA2 GLY 71 2HA GLY 71 6.972 -5.823 9.195 583 HA3 GLY 71 1HA GLY 71 6.067 -7.154 9.898 584 H ARG 72 H ARG 72 4.954 -3.879 10.287 585 HA ARG 72 HA ARG 72 2.569 -4.544 8.725 586 HB2 ARG 72 2HB ARG 72 2.231 -3.737 11.013 587 HB3 ARG 72 1HB ARG 72 3.093 -2.253 10.631 588 HG2 ARG 72 2HG ARG 72 1.353 -1.642 9.019 589 HG3 ARG 72 1HG ARG 72 0.495 -3.142 9.376 590 HD2 ARG 72 2HD ARG 72 1.059 -0.900 11.322 591 HD3 ARG 72 1HD ARG 72 -0.499 -1.267 10.578 592 HE ARG 72 HE ARG 72 -0.256 -3.496 11.775 593 HH11 ARG 72 1HH1 ARG 72 1.011 -0.537 13.001 594 HH12 ARG 72 2HH1 ARG 72 0.983 -1.081 14.639 595 HH21 ARG 72 1HH2 ARG 72 -0.287 -4.177 13.882 596 HH22 ARG 72 2HH2 ARG 72 0.262 -3.113 15.133 597 H VAL 73 H VAL 73 2.339 -3.810 6.715 598 HA VAL 73 HA VAL 73 3.914 -1.521 5.771 599 HB VAL 73 HB VAL 73 2.105 -3.427 4.254 600 HG11 VAL 73 1HG1 VAL 73 3.943 -1.260 3.211 601 HG12 VAL 73 2HG1 VAL 73 2.180 -1.242 3.165 602 HG13 VAL 73 3HG1 VAL 73 3.073 -2.433 2.221 603 HG21 VAL 73 3HG2 VAL 73 4.111 -4.518 5.096 604 HG22 VAL 73 1HG2 VAL 73 5.120 -3.252 4.398 605 HG23 VAL 73 2HG2 VAL 73 4.204 -4.333 3.345 606 H THR 74 H THR 74 3.028 0.485 5.576 607 HA THR 74 HA THR 74 0.083 0.704 5.567 608 HB THR 74 HB THR 74 1.938 2.390 7.269 609 HG1 THR 74 HG1 THR 74 0.849 0.015 7.728 610 HG21 THR 74 3HG2 THR 74 -0.109 3.389 8.166 611 HG22 THR 74 1HG2 THR 74 -1.086 2.421 7.064 612 HG23 THR 74 2HG2 THR 74 -0.006 3.662 6.426 613 H LEU 75 H LEU 75 -0.551 1.714 3.819 614 HA LEU 75 HA LEU 75 1.086 3.807 2.574 615 HB2 LEU 75 2HB LEU 75 0.322 2.021 1.110 616 HB3 LEU 75 1HB LEU 75 -1.338 2.277 1.609 617 HG LEU 75 HG LEU 75 -1.297 4.517 0.541 618 HD11 LEU 75 1HD1 LEU 75 1.095 4.961 0.710 619 HD12 LEU 75 2HD1 LEU 75 0.538 5.109 -0.955 620 HD13 LEU 75 3HD1 LEU 75 1.426 3.671 -0.450 621 HD21 LEU 75 3HD2 LEU 75 -1.391 3.732 -1.757 622 HD22 LEU 75 1HD2 LEU 75 -2.144 2.561 -0.676 623 HD23 LEU 75 2HD2 LEU 75 -0.526 2.260 -1.312 624 H LEU 76 H LEU 76 0.587 5.896 2.873 625 HA LEU 76 HA LEU 76 -2.074 6.595 3.946 626 HB2 LEU 76 2HB LEU 76 0.539 8.104 4.148 627 HB3 LEU 76 1HB LEU 76 -0.990 8.624 4.834 628 HG LEU 76 HG LEU 76 0.557 6.153 5.651 629 HD11 LEU 76 1HD1 LEU 76 0.956 7.351 7.745 630 HD12 LEU 76 2HD1 LEU 76 0.146 8.775 7.091 631 HD13 LEU 76 3HD1 LEU 76 1.652 8.206 6.369 632 HD21 LEU 76 3HD2 LEU 76 -1.086 5.985 7.473 633 HD22 LEU 76 1HD2 LEU 76 -1.840 5.808 5.888 634 HD23 LEU 76 2HD2 LEU 76 -1.992 7.327 6.771 635 H ILE 77 H ILE 77 -3.393 7.346 2.407 636 HA ILE 77 HA ILE 77 -2.298 9.130 0.316 637 HB ILE 77 HB ILE 77 -4.824 7.457 0.274 638 HG12 ILE 77 2HG1 ILE 77 -2.250 7.169 -1.306 639 HG13 ILE 77 1HG1 ILE 77 -2.714 6.159 0.058 640 HG21 ILE 77 1HG2 ILE 77 -5.141 9.523 -0.977 641 HG22 ILE 77 2HG2 ILE 77 -5.030 8.152 -2.078 642 HG23 ILE 77 3HG2 ILE 77 -3.650 9.230 -1.872 643 HD11 ILE 77 3HD1 ILE 77 -4.147 6.345 -2.581 644 HD12 ILE 77 1HD1 ILE 77 -4.656 5.360 -1.208 645 HD13 ILE 77 2HD1 ILE 77 -3.129 5.018 -2.026 646 H LYS 78 H LYS 78 -2.626 11.213 0.814 647 HA LYS 78 HA LYS 78 -5.144 11.984 2.157 648 HB2 LYS 78 2HB LYS 78 -2.408 13.260 2.269 649 HB3 LYS 78 1HB LYS 78 -3.855 13.973 2.976 650 HG2 LYS 78 2HG LYS 78 -4.084 12.161 4.522 651 HG3 LYS 78 1HG LYS 78 -2.812 11.240 3.719 652 HD2 LYS 78 2HD LYS 78 -2.405 13.898 5.099 653 HD3 LYS 78 1HD LYS 78 -2.070 12.324 5.828 654 HE2 LYS 78 2HE LYS 78 -0.435 11.851 4.080 655 HE3 LYS 78 1HE LYS 78 -0.790 13.397 3.311 656 HZ1 LYS 78 3HZ LYS 78 0.374 13.030 6.015 657 HZ2 LYS 78 1HZ LYS 78 0.013 14.517 5.297 658 HZ3 LYS 78 2HZ LYS 78 1.208 13.523 4.633 659 H ASP 79 H ASP 79 -6.174 13.936 1.588 660 HA ASP 79 HA ASP 79 -7.106 15.421 0.155 661 HB2 ASP 79 2HB ASP 79 -4.718 16.357 0.428 662 HB3 ASP 79 1HB ASP 79 -4.409 15.705 -1.178 663 H VAL 80 H VAL 80 -7.240 12.680 -0.517 664 HA VAL 80 HA VAL 80 -6.539 12.188 -3.235 665 HB VAL 80 HB VAL 80 -6.780 10.420 -1.488 666 HG11 VAL 80 1HG1 VAL 80 -9.740 10.816 -1.889 667 HG12 VAL 80 2HG1 VAL 80 -8.835 11.286 -0.448 668 HG13 VAL 80 3HG1 VAL 80 -8.969 9.584 -0.891 669 HG21 VAL 80 3HG2 VAL 80 -8.457 10.065 -3.976 670 HG22 VAL 80 1HG2 VAL 80 -7.882 8.752 -2.947 671 HG23 VAL 80 2HG2 VAL 80 -6.727 9.764 -3.810 672 H ASN 81 H ASN 81 -7.652 12.585 -5.076 673 HA ASN 81 HA ASN 81 -10.507 13.328 -4.859 674 HB2 ASN 81 2HB ASN 81 -10.152 14.549 -7.041 675 HB3 ASN 81 1HB ASN 81 -9.319 15.230 -5.654 676 HD21 ASN 81 1HD2 ASN 81 -8.255 12.417 -7.522 677 HD22 ASN 81 2HD2 ASN 81 -6.818 13.155 -8.108 678 H LYS 82 H LYS 82 -11.639 12.955 -7.161 679 HA LYS 82 HA LYS 82 -12.077 10.273 -7.496 680 HB2 LYS 82 2HB LYS 82 -12.275 12.468 -9.559 681 HB3 LYS 82 1HB LYS 82 -12.847 10.835 -9.849 682 HG2 LYS 82 2HG LYS 82 -13.848 12.649 -7.658 683 HG3 LYS 82 1HG LYS 82 -14.637 12.395 -9.216 684 HD2 LYS 82 2HD LYS 82 -14.595 9.882 -8.565 685 HD3 LYS 82 1HD LYS 82 -14.309 10.474 -6.924 686 HE2 LYS 82 2HE LYS 82 -16.677 10.106 -7.257 687 HE3 LYS 82 1HE LYS 82 -16.368 11.832 -7.086 688 HZ1 LYS 82 3HZ LYS 82 -17.920 11.348 -8.880 689 HZ2 LYS 82 1HZ LYS 82 -16.752 10.408 -9.662 690 HZ3 LYS 82 2HZ LYS 82 -16.513 12.070 -9.472 691 H LYS 83 H LYS 83 -9.732 12.216 -9.360 692 HA LYS 83 HA LYS 83 -8.855 10.214 -11.104 693 HB2 LYS 83 2HB LYS 83 -7.322 12.569 -9.991 694 HB3 LYS 83 1HB LYS 83 -6.799 11.599 -11.359 695 HG2 LYS 83 2HG LYS 83 -9.292 13.287 -11.212 696 HG3 LYS 83 1HG LYS 83 -7.823 13.661 -12.112 697 HD2 LYS 83 2HD LYS 83 -9.664 11.315 -12.608 698 HD3 LYS 83 1HD LYS 83 -9.567 12.780 -13.586 699 HE2 LYS 83 2HE LYS 83 -7.209 12.236 -14.112 700 HE3 LYS 83 1HE LYS 83 -7.367 10.746 -13.183 701 HZ1 LYS 83 3HZ LYS 83 -9.227 10.157 -14.739 702 HZ2 LYS 83 1HZ LYS 83 -7.686 10.185 -15.434 703 HZ3 LYS 83 2HZ LYS 83 -8.752 11.466 -15.698 704 H ASP 84 H ASP 84 -7.948 10.768 -7.752 705 HA ASP 84 HA ASP 84 -5.564 9.141 -7.944 706 HB2 ASP 84 2HB ASP 84 -6.893 10.272 -5.463 707 HB3 ASP 84 1HB ASP 84 -5.257 9.622 -5.580 708 H ALA 85 H ALA 85 -8.809 8.408 -7.752 709 HA ALA 85 HA ALA 85 -8.576 6.075 -6.046 710 HB1 ALA 85 3HB ALA 85 -10.885 5.612 -6.688 711 HB2 ALA 85 1HB ALA 85 -10.813 6.872 -7.922 712 HB3 ALA 85 2HB ALA 85 -10.704 7.301 -6.217 713 H GLY 86 H GLY 86 -8.486 3.931 -6.713 714 HA2 GLY 86 2HA GLY 86 -8.811 2.990 -9.327 715 HA3 GLY 86 1HA GLY 86 -7.107 3.365 -9.122 716 H TRP 87 H TRP 87 -7.302 0.904 -9.691 717 HA TRP 87 HA TRP 87 -7.403 -0.688 -7.248 718 HB2 TRP 87 2HB TRP 87 -7.106 -1.308 -10.158 719 HB3 TRP 87 1HB TRP 87 -6.445 -2.455 -8.997 720 HD1 TRP 87 HD1 TRP 87 -9.754 -1.189 -10.393 721 HE1 TRP 87 HE1 TRP 87 -11.655 -2.672 -9.489 722 HE3 TRP 87 HE3 TRP 87 -7.122 -3.872 -6.916 723 HZ2 TRP 87 HZ2 TRP 87 -11.995 -4.704 -7.568 724 HZ3 TRP 87 HZ3 TRP 87 -8.315 -5.565 -5.588 725 HH2 TRP 87 HH2 TRP 87 -10.700 -5.970 -5.908 726 H TYR 88 H TYR 88 -5.738 -0.646 -5.922 727 HA TYR 88 HA TYR 88 -3.048 -0.016 -6.884 728 HB2 TYR 88 2HB TYR 88 -4.286 -0.141 -4.127 729 HB3 TYR 88 1HB TYR 88 -2.550 0.028 -4.369 730 HD1 TYR 88 HD1 TYR 88 -5.805 1.650 -5.258 731 HD2 TYR 88 HD2 TYR 88 -1.616 2.150 -4.635 732 HE1 TYR 88 HE1 TYR 88 -6.065 4.089 -5.473 733 HE2 TYR 88 HE2 TYR 88 -1.869 4.583 -4.850 734 HH TYR 88 HH TYR 88 -4.957 6.128 -4.920 735 H THR 89 H THR 89 -1.406 -1.447 -6.909 736 HA THR 89 HA THR 89 -1.913 -4.171 -5.872 737 HB THR 89 HB THR 89 -0.224 -3.449 -8.285 738 HG1 THR 89 HG1 THR 89 -2.624 -3.227 -8.463 739 HG21 THR 89 3HG2 THR 89 -1.147 -6.128 -7.222 740 HG22 THR 89 1HG2 THR 89 0.502 -5.501 -7.149 741 HG23 THR 89 2HG2 THR 89 -0.235 -5.869 -8.708 742 H VAL 90 H VAL 90 -0.579 -4.756 -4.275 743 HA VAL 90 HA VAL 90 1.912 -3.243 -3.887 744 HB VAL 90 HB VAL 90 0.433 -3.199 -1.973 745 HG11 VAL 90 1HG1 VAL 90 0.608 -6.215 -1.947 746 HG12 VAL 90 2HG1 VAL 90 -0.811 -5.262 -2.383 747 HG13 VAL 90 3HG1 VAL 90 -0.189 -5.211 -0.734 748 HG21 VAL 90 3HG2 VAL 90 2.830 -3.204 -1.525 749 HG22 VAL 90 1HG2 VAL 90 2.832 -4.967 -1.457 750 HG23 VAL 90 2HG2 VAL 90 1.958 -4.039 -0.239 751 H SER 91 H SER 91 3.832 -4.141 -4.238 752 HA SER 91 HA SER 91 4.072 -7.089 -4.279 753 HB2 SER 91 2HB SER 91 5.546 -5.074 -6.006 754 HB3 SER 91 1HB SER 91 5.889 -6.803 -5.965 755 HG SER 91 HG SER 91 4.392 -5.887 -7.658 756 H ALA 92 H ALA 92 5.289 -7.815 -2.652 757 HA ALA 92 HA ALA 92 7.436 -6.101 -1.572 758 HB1 ALA 92 3HB ALA 92 7.322 -7.474 0.438 759 HB2 ALA 92 1HB ALA 92 6.111 -8.512 -0.318 760 HB3 ALA 92 2HB ALA 92 5.730 -6.827 0.041 761 H VAL 93 H VAL 93 9.424 -6.571 -2.317 762 HA VAL 93 HA VAL 93 9.980 -9.332 -3.191 763 HB VAL 93 HB VAL 93 10.157 -7.765 -5.014 764 HG11 VAL 93 1HG1 VAL 93 12.219 -6.282 -3.378 765 HG12 VAL 93 2HG1 VAL 93 10.584 -5.723 -3.735 766 HG13 VAL 93 3HG1 VAL 93 11.752 -5.922 -5.041 767 HG21 VAL 93 3HG2 VAL 93 11.729 -9.640 -4.989 768 HG22 VAL 93 1HG2 VAL 93 12.905 -8.654 -4.117 769 HG23 VAL 93 2HG2 VAL 93 12.441 -8.224 -5.763 770 H ASN 94 H ASN 94 11.010 -10.452 -1.720 771 HA ASN 94 HA ASN 94 13.300 -9.290 -0.257 772 HB2 ASN 94 2HB ASN 94 11.444 -10.194 1.136 773 HB3 ASN 94 1HB ASN 94 11.641 -11.760 0.367 774 HD21 ASN 94 1HD2 ASN 94 11.823 -11.035 3.168 775 HD22 ASN 94 2HD2 ASN 94 13.395 -11.509 3.689 776 H GLU 95 H GLU 95 15.282 -10.561 -0.198 777 HA GLU 95 HA GLU 95 16.014 -11.837 -2.579 778 HB2 GLU 95 2HB GLU 95 18.019 -12.621 -1.392 779 HB3 GLU 95 1HB GLU 95 17.687 -10.931 -1.038 780 HG2 GLU 95 2HG GLU 95 16.811 -11.498 1.131 781 HG3 GLU 95 1HG GLU 95 16.932 -13.220 0.773 782 H ALA 96 H ALA 96 14.590 -13.147 0.350 783 HA ALA 96 HA ALA 96 14.918 -15.910 -0.284 784 HB1 ALA 96 3HB ALA 96 13.342 -16.313 1.519 785 HB2 ALA 96 1HB ALA 96 12.869 -14.612 1.516 786 HB3 ALA 96 2HB ALA 96 14.503 -15.073 1.994 787 H GLY 97 H GLY 97 12.564 -13.502 -1.230 788 HA2 GLY 97 2HA GLY 97 11.499 -14.859 -3.380 789 HA3 GLY 97 1HA GLY 97 10.494 -15.325 -2.017 790 H VAL 98 H VAL 98 9.170 -14.129 -3.962 791 HA VAL 98 HA VAL 98 8.718 -11.373 -2.999 792 HB VAL 98 HB VAL 98 9.959 -11.194 -5.092 793 HG11 VAL 98 1HG1 VAL 98 9.029 -12.026 -7.211 794 HG12 VAL 98 2HG1 VAL 98 7.735 -12.826 -6.318 795 HG13 VAL 98 3HG1 VAL 98 9.409 -13.333 -6.090 796 HG21 VAL 98 3HG2 VAL 98 8.265 -9.498 -4.624 797 HG22 VAL 98 1HG2 VAL 98 7.046 -10.465 -5.457 798 HG23 VAL 98 2HG2 VAL 98 8.401 -9.783 -6.359 799 H THR 99 H THR 99 6.579 -10.651 -3.001 800 HA THR 99 HA THR 99 4.489 -12.517 -3.897 801 HB THR 99 HB THR 99 4.843 -13.066 -1.535 802 HG1 THR 99 HG1 THR 99 2.636 -12.691 -0.879 803 HG21 THR 99 3HG2 THR 99 4.100 -10.185 -0.988 804 HG22 THR 99 1HG2 THR 99 5.701 -10.890 -0.774 805 HG23 THR 99 2HG2 THR 99 4.356 -11.441 0.224 806 H THR 100 H THR 100 2.516 -11.580 -4.417 807 HA THR 100 HA THR 100 2.366 -8.635 -4.331 808 HB THR 100 HB THR 100 1.879 -10.367 -6.773 809 HG1 THR 100 HG1 THR 100 3.665 -8.169 -6.518 810 HG21 THR 100 3HG2 THR 100 1.362 -8.277 -7.955 811 HG22 THR 100 1HG2 THR 100 1.469 -7.390 -6.437 812 HG23 THR 100 2HG2 THR 100 0.198 -8.591 -6.669 813 H CYS 101 H CYS 101 0.369 -7.790 -3.910 814 HA CYS 101 HA CYS 101 -1.991 -9.550 -4.077 815 HB2 CYS 101 2HB CYS 101 -1.205 -9.564 -1.727 816 HB3 CYS 101 1HB CYS 101 -1.341 -7.809 -1.683 817 HG CYS 101 HG CYS 101 -4.026 -9.856 -2.265 818 H ASN 102 H ASN 102 -4.069 -8.200 -3.666 819 HA ASN 102 HA ASN 102 -3.809 -5.720 -5.258 820 HB2 ASN 102 2HB ASN 102 -6.110 -7.684 -5.164 821 HB3 ASN 102 1HB ASN 102 -6.096 -6.186 -6.089 822 HD21 ASN 102 1HD2 ASN 102 -3.253 -6.520 -6.816 823 HD22 ASN 102 2HD2 ASN 102 -3.245 -7.744 -8.032 824 H THR 103 H THR 103 -5.054 -3.943 -4.778 825 HA THR 103 HA THR 103 -6.797 -3.941 -2.419 826 HB THR 103 HB THR 103 -4.561 -1.914 -2.764 827 HG1 THR 103 HG1 THR 103 -4.615 -4.371 -1.539 828 HG21 THR 103 3HG2 THR 103 -6.542 -1.011 -1.636 829 HG22 THR 103 1HG2 THR 103 -5.202 -1.186 -0.504 830 HG23 THR 103 2HG2 THR 103 -6.518 -2.360 -0.497 831 H ARG 104 H ARG 104 -8.391 -2.237 -2.498 832 HA ARG 104 HA ARG 104 -8.385 -0.684 -5.014 833 HB2 ARG 104 2HB ARG 104 -10.045 -2.502 -5.117 834 HB3 ARG 104 1HB ARG 104 -10.816 -1.879 -3.661 835 HG2 ARG 104 2HG ARG 104 -11.371 0.194 -4.825 836 HG3 ARG 104 1HG ARG 104 -10.564 -0.393 -6.278 837 HD2 ARG 104 2HD ARG 104 -12.191 -2.243 -6.405 838 HD3 ARG 104 1HD ARG 104 -13.007 -1.607 -4.973 839 HE ARG 104 HE ARG 104 -12.818 0.408 -6.926 840 HH11 ARG 104 1HH1 ARG 104 -14.514 -2.521 -6.311 841 HH12 ARG 104 2HH1 ARG 104 -15.902 -2.033 -7.212 842 HH21 ARG 104 1HH2 ARG 104 -14.597 1.022 -8.094 843 HH22 ARG 104 2HH2 ARG 104 -15.938 -0.062 -8.234 844 H LEU 105 H LEU 105 -8.882 1.450 -4.925 845 HA LEU 105 HA LEU 105 -9.899 2.543 -2.373 846 HB2 LEU 105 2HB LEU 105 -7.538 3.125 -2.626 847 HB3 LEU 105 1HB LEU 105 -7.848 3.778 -4.224 848 HG LEU 105 HG LEU 105 -9.293 5.526 -3.193 849 HD11 LEU 105 1HD1 LEU 105 -9.150 5.897 -0.767 850 HD12 LEU 105 2HD1 LEU 105 -8.279 4.373 -0.595 851 HD13 LEU 105 3HD1 LEU 105 -9.948 4.376 -1.166 852 HD21 LEU 105 3HD2 LEU 105 -6.466 5.425 -2.133 853 HD22 LEU 105 1HD2 LEU 105 -7.465 6.870 -2.296 854 HD23 LEU 105 2HD2 LEU 105 -6.952 5.987 -3.734 855 H ASP 106 H ASP 106 -11.804 3.543 -2.597 856 HA ASP 106 HA ASP 106 -12.561 4.588 -5.254 857 HB2 ASP 106 2HB ASP 106 -14.267 3.624 -2.951 858 HB3 ASP 106 1HB ASP 106 -14.917 4.448 -4.363 859 H VAL 107 H VAL 107 -13.537 6.632 -5.428 860 HA VAL 107 HA VAL 107 -13.501 8.323 -3.015 861 HB VAL 107 HB VAL 107 -12.390 9.141 -5.716 862 HG11 VAL 107 1HG1 VAL 107 -12.665 10.751 -3.170 863 HG12 VAL 107 2HG1 VAL 107 -13.564 11.003 -4.665 864 HG13 VAL 107 3HG1 VAL 107 -11.823 11.277 -4.629 865 HG21 VAL 107 3HG2 VAL 107 -10.874 7.697 -4.410 866 HG22 VAL 107 1HG2 VAL 107 -10.976 8.829 -3.061 867 HG23 VAL 107 2HG2 VAL 107 -10.246 9.336 -4.585 868 H THR 108 H THR 108 -15.029 9.931 -2.919 869 HA THR 108 HA THR 108 -17.066 10.019 -5.063 870 HB THR 108 HB THR 108 -17.540 10.293 -2.081 871 HG1 THR 108 HG1 THR 108 -17.243 8.102 -3.477 872 HG21 THR 108 3HG2 THR 108 -19.926 10.278 -2.646 873 HG22 THR 108 1HG2 THR 108 -19.525 10.213 -4.362 874 HG23 THR 108 2HG2 THR 108 -19.107 11.640 -3.412 875 H ALA 109 H ALA 109 -18.011 12.092 -5.461 876 HA ALA 109 HA ALA 109 -16.157 14.250 -5.106 877 HB1 ALA 109 3HB ALA 109 -18.931 14.281 -6.304 878 HB2 ALA 109 1HB ALA 109 -17.435 13.964 -7.182 879 HB3 ALA 109 2HB ALA 109 -17.714 15.549 -6.462 880 H ARG 110 H ARG 110 -16.058 15.601 -3.439 881 HA ARG 110 HA ARG 110 -18.020 15.648 -1.366 882 HB2 ARG 110 2HB ARG 110 -15.634 16.014 -0.897 883 HB3 ARG 110 1HB ARG 110 -15.668 17.475 -1.870 884 HG2 ARG 110 2HG ARG 110 -17.283 18.457 -0.290 885 HG3 ARG 110 1HG ARG 110 -17.142 17.017 0.714 886 HD2 ARG 110 2HD ARG 110 -14.755 18.697 -0.033 887 HD3 ARG 110 1HD ARG 110 -15.754 19.065 1.371 888 HE ARG 110 HE ARG 110 -14.443 16.439 1.088 889 HH11 ARG 110 1HH1 ARG 110 -14.969 19.360 2.853 890 HH12 ARG 110 2HH1 ARG 110 -14.171 18.775 4.267 891 HH21 ARG 110 1HH2 ARG 110 -13.414 15.719 2.928 892 HH22 ARG 110 2HH2 ARG 110 -13.298 16.759 4.302 893 HA PRO 111 HA PRO 111 -20.675 18.497 -3.467 894 HB2 PRO 111 2HB PRO 111 -22.618 18.705 -1.609 895 HB3 PRO 111 1HB PRO 111 -22.335 17.212 -2.510 896 HG2 PRO 111 2HG PRO 111 -21.542 17.919 0.284 897 HG3 PRO 111 1HG PRO 111 -22.124 16.373 -0.360 898 HD2 PRO 111 2HD PRO 111 -19.461 16.998 0.126 899 HD3 PRO 111 1HD PRO 111 -20.008 15.719 -0.969 900 H ASN 112 H ASN 112 -18.762 19.425 -0.922 901 HA ASN 112 HA ASN 112 -19.463 22.242 -1.277 902 HB2 ASN 112 2HB ASN 112 -19.282 22.638 1.186 903 HB3 ASN 112 1HB ASN 112 -20.669 21.649 0.743 904 HD21 ASN 112 1HD2 ASN 112 -20.820 19.601 1.520 905 HD22 ASN 112 2HD2 ASN 112 -19.657 18.884 2.580 906 H GLN 113 H GLN 113 -17.747 23.654 -0.114 907 HA GLN 113 HA GLN 113 -15.111 22.368 -0.009 908 HB2 GLN 113 2HB GLN 113 -15.798 24.755 -1.736 909 HB3 GLN 113 1HB GLN 113 -14.151 24.321 -1.309 910 HG2 GLN 113 2HG GLN 113 -14.470 22.134 -2.413 911 HG3 GLN 113 1HG GLN 113 -16.087 22.641 -2.897 912 HE21 GLN 113 1HE2 GLN 113 -13.766 21.906 -4.525 913 HE22 GLN 113 2HE2 GLN 113 -13.458 23.258 -5.553 914 H THR 114 H THR 114 -14.157 22.908 1.859 915 HA THR 114 HA THR 114 -14.819 25.220 3.403 916 HB THR 114 HB THR 114 -13.880 23.220 4.473 917 HG1 THR 114 HG1 THR 114 -11.833 25.041 4.960 918 HG21 THR 114 3HG2 THR 114 -12.342 22.488 2.719 919 HG22 THR 114 1HG2 THR 114 -11.486 22.678 4.252 920 HG23 THR 114 2HG2 THR 114 -11.329 23.906 2.996 921 H LEU 115 H LEU 115 -12.793 24.702 0.710 922 HA LEU 115 HA LEU 115 -11.116 27.042 1.146 923 HB2 LEU 115 2HB LEU 115 -11.302 25.136 -1.201 924 HB3 LEU 115 1HB LEU 115 -10.097 26.398 -1.016 925 HG LEU 115 HG LEU 115 -10.400 23.990 0.798 926 HD11 LEU 115 1HD1 LEU 115 -8.298 23.230 -0.202 927 HD12 LEU 115 2HD1 LEU 115 -8.317 24.607 -1.305 928 HD13 LEU 115 3HD1 LEU 115 -9.571 23.372 -1.414 929 HD21 LEU 115 3HD2 LEU 115 -8.319 26.184 0.766 930 HD22 LEU 115 1HD2 LEU 115 -8.264 24.733 1.766 931 HD23 LEU 115 2HD2 LEU 115 -9.544 25.920 2.009 932 HA PRO 116 HA PRO 116 -13.459 30.106 -1.046 933 HB2 PRO 116 2HB PRO 116 -11.572 31.067 -2.866 934 HB3 PRO 116 1HB PRO 116 -11.742 31.590 -1.188 935 HG2 PRO 116 2HG PRO 116 -9.858 29.583 -2.365 936 HG3 PRO 116 1HG PRO 116 -9.555 30.814 -1.121 937 HD2 PRO 116 2HD PRO 116 -9.889 28.255 -0.449 938 HD3 PRO 116 1HD PRO 116 -10.580 29.549 0.553 Start of MODEL 8 1 H1 MET 1 1H MET 1 47.724 -10.381 16.509 2 H2 MET 1 2H MET 1 46.219 -11.066 16.878 3 H3 MET 1 3H MET 1 46.300 -9.577 16.082 4 HA MET 1 HA MET 1 47.266 -10.582 14.144 5 HB2 MET 1 2HB MET 1 48.496 -12.361 15.307 6 HB3 MET 1 1HB MET 1 46.985 -13.170 15.696 7 HG2 MET 1 2HG MET 1 48.101 -14.247 13.829 8 HG3 MET 1 1HG MET 1 46.565 -13.547 13.321 9 HE1 MET 1 3HE MET 1 48.784 -14.484 11.259 10 HE2 MET 1 1HE MET 1 48.781 -13.135 10.123 11 HE3 MET 1 2HE MET 1 47.258 -13.745 10.770 12 H GLY 2 H GLY 2 44.914 -12.638 15.906 13 HA2 GLY 2 2HA GLY 2 42.823 -11.776 14.005 14 HA3 GLY 2 1HA GLY 2 43.105 -13.491 14.272 15 H HIS 3 H HIS 3 41.055 -11.099 15.062 16 HA HIS 3 HA HIS 3 40.846 -11.629 17.925 17 HB2 HIS 3 2HB HIS 3 39.227 -9.787 16.147 18 HB3 HIS 3 1HB HIS 3 39.091 -9.889 17.901 19 HD1 HIS 3 HD1 HIS 3 41.119 -8.949 19.298 20 HD2 HIS 3 HD2 HIS 3 41.352 -8.263 15.205 21 HE1 HIS 3 HE1 HIS 3 42.888 -7.198 19.008 22 HE2 HIS 3 HE2 HIS 3 42.940 -6.726 16.542 23 H HIS 4 H HIS 4 38.617 -11.795 15.121 24 HA HIS 4 HA HIS 4 36.789 -13.471 16.656 25 HB2 HIS 4 2HB HIS 4 36.614 -12.456 13.807 26 HB3 HIS 4 1HB HIS 4 35.353 -13.363 14.636 27 HD1 HIS 4 HD1 HIS 4 34.131 -12.131 16.622 28 HD2 HIS 4 HD2 HIS 4 36.710 -9.754 14.398 29 HE1 HIS 4 HE1 HIS 4 33.540 -9.768 17.209 30 HE2 HIS 4 HE2 HIS 4 34.971 -8.355 15.705 31 H HIS 5 H HIS 5 37.198 -15.573 16.830 32 HA HIS 5 HA HIS 5 38.658 -16.949 14.680 33 HB2 HIS 5 2HB HIS 5 38.084 -17.813 17.527 34 HB3 HIS 5 1HB HIS 5 39.023 -18.737 16.357 35 HD1 HIS 5 HD1 HIS 5 41.346 -17.714 15.643 36 HD2 HIS 5 HD2 HIS 5 39.472 -15.772 18.804 37 HE1 HIS 5 HE1 HIS 5 43.105 -16.252 16.675 38 HE2 HIS 5 HE2 HIS 5 41.895 -14.944 18.447 39 H HIS 6 H HIS 6 35.558 -16.339 15.248 40 HA HIS 6 HA HIS 6 34.650 -18.931 14.156 41 HB2 HIS 6 2HB HIS 6 33.037 -16.691 15.417 42 HB3 HIS 6 1HB HIS 6 32.348 -18.154 14.714 43 HD1 HIS 6 HD1 HIS 6 33.379 -20.457 15.892 44 HD2 HIS 6 HD2 HIS 6 33.482 -16.928 18.084 45 HE1 HIS 6 HE1 HIS 6 33.658 -21.156 18.284 46 HE2 HIS 6 HE2 HIS 6 33.667 -19.017 19.598 47 H HIS 7 H HIS 7 34.839 -18.859 11.979 48 HA HIS 7 HA HIS 7 34.802 -16.278 10.637 49 HB2 HIS 7 2HB HIS 7 36.543 -18.225 10.383 50 HB3 HIS 7 1HB HIS 7 35.375 -18.872 9.237 51 HD1 HIS 7 HD1 HIS 7 34.686 -16.986 7.285 52 HD2 HIS 7 HD2 HIS 7 38.314 -16.536 9.261 53 HE1 HIS 7 HE1 HIS 7 36.076 -15.500 5.817 54 HE2 HIS 7 HE2 HIS 7 38.199 -15.118 7.105 55 H HIS 8 H HIS 8 32.325 -18.267 11.354 56 HA HIS 8 HA HIS 8 30.688 -17.235 9.246 57 HB2 HIS 8 2HB HIS 8 30.013 -19.321 8.194 58 HB3 HIS 8 1HB HIS 8 31.752 -19.109 8.036 59 HD1 HIS 8 HD1 HIS 8 29.241 -21.491 9.115 60 HD2 HIS 8 HD2 HIS 8 33.250 -20.779 9.945 61 HE1 HIS 8 HE1 HIS 8 30.088 -23.598 10.178 62 HE2 HIS 8 HE2 HIS 8 32.542 -23.194 10.557 63 H SER 9 H SER 9 28.527 -17.278 9.696 64 HA SER 9 HA SER 9 27.650 -18.692 12.149 65 HB2 SER 9 2HB SER 9 26.172 -16.788 12.639 66 HB3 SER 9 1HB SER 9 27.848 -16.247 12.528 67 HG SER 9 HG SER 9 25.994 -15.097 11.331 68 H HIS 10 H HIS 10 24.907 -18.029 11.957 69 HA HIS 10 HA HIS 10 24.089 -19.192 9.369 70 HB2 HIS 10 2HB HIS 10 23.096 -19.991 12.113 71 HB3 HIS 10 1HB HIS 10 22.331 -20.487 10.607 72 HD1 HIS 10 HD1 HIS 10 24.851 -21.513 12.983 73 HD2 HIS 10 HD2 HIS 10 24.165 -22.086 8.926 74 HE1 HIS 10 HE1 HIS 10 26.218 -23.517 12.350 75 HE2 HIS 10 HE2 HIS 10 25.628 -23.958 9.944 76 H GLU 11 H GLU 11 23.127 -17.457 8.424 77 HA GLU 11 HA GLU 11 21.139 -15.906 9.924 78 HB2 GLU 11 2HB GLU 11 22.278 -15.520 7.142 79 HB3 GLU 11 1HB GLU 11 21.085 -14.462 7.889 80 HG2 GLU 11 2HG GLU 11 22.685 -13.903 9.658 81 HG3 GLU 11 1HG GLU 11 23.877 -14.968 8.914 82 H HIS 12 H HIS 12 18.961 -15.967 9.506 83 HA HIS 12 HA HIS 12 18.046 -18.184 7.787 84 HB2 HIS 12 2HB HIS 12 16.502 -16.790 9.986 85 HB3 HIS 12 1HB HIS 12 16.096 -18.308 9.191 86 HD1 HIS 12 HD1 HIS 12 18.256 -16.852 11.853 87 HD2 HIS 12 HD2 HIS 12 17.573 -20.549 10.079 88 HE1 HIS 12 HE1 HIS 12 19.355 -18.536 13.357 89 HE2 HIS 12 HE2 HIS 12 18.944 -20.761 12.263 90 H LYS 13 H LYS 13 16.748 -17.802 6.052 91 HA LYS 13 HA LYS 13 15.744 -15.056 5.644 92 HB2 LYS 13 2HB LYS 13 16.268 -17.242 3.614 93 HB3 LYS 13 1HB LYS 13 15.596 -15.661 3.238 94 HG2 LYS 13 2HG LYS 13 17.698 -14.637 4.129 95 HG3 LYS 13 1HG LYS 13 18.360 -16.267 4.276 96 HD2 LYS 13 2HD LYS 13 17.408 -14.949 1.725 97 HD3 LYS 13 1HD LYS 13 19.087 -15.214 2.194 98 HE2 LYS 13 2HE LYS 13 18.725 -17.634 2.148 99 HE3 LYS 13 1HE LYS 13 17.038 -17.379 1.704 100 HZ1 LYS 13 3HZ LYS 13 18.499 -17.910 -0.194 101 HZ2 LYS 13 1HZ LYS 13 19.349 -16.472 0.075 102 HZ3 LYS 13 2HZ LYS 13 17.718 -16.422 -0.365 103 H ARG 14 H ARG 14 13.602 -14.677 5.368 104 HA ARG 14 HA ARG 14 11.777 -16.988 5.201 105 HB2 ARG 14 2HB ARG 14 11.996 -15.943 7.544 106 HB3 ARG 14 1HB ARG 14 11.161 -14.550 6.873 107 HG2 ARG 14 2HG ARG 14 9.530 -15.880 7.951 108 HG3 ARG 14 1HG ARG 14 9.295 -16.105 6.216 109 HD2 ARG 14 2HD ARG 14 9.128 -18.251 7.278 110 HD3 ARG 14 1HD ARG 14 10.645 -18.207 6.379 111 HE ARG 14 HE ARG 14 10.378 -17.991 9.304 112 HH11 ARG 14 1HH1 ARG 14 12.315 -18.637 6.519 113 HH12 ARG 14 2HH1 ARG 14 13.644 -19.212 7.456 114 HH21 ARG 14 1HH2 ARG 14 12.089 -18.751 10.479 115 HH22 ARG 14 2HH2 ARG 14 13.516 -19.291 9.665 116 H ALA 15 H ALA 15 10.523 -16.833 3.456 117 HA ALA 15 HA ALA 15 10.402 -14.564 1.785 118 HB1 ALA 15 3HB ALA 15 8.559 -16.959 1.855 119 HB2 ALA 15 1HB ALA 15 10.068 -16.838 0.949 120 HB3 ALA 15 2HB ALA 15 8.703 -15.805 0.527 121 HA PRO 16 HA PRO 16 7.369 -12.006 3.702 122 HB2 PRO 16 2HB PRO 16 6.254 -10.785 1.509 123 HB3 PRO 16 1HB PRO 16 7.836 -10.361 2.173 124 HG2 PRO 16 2HG PRO 16 7.170 -12.134 -0.150 125 HG3 PRO 16 1HG PRO 16 8.444 -10.908 -0.009 126 HD2 PRO 16 2HD PRO 16 8.967 -13.538 0.257 127 HD3 PRO 16 1HD PRO 16 9.834 -12.312 1.207 128 H MET 17 H MET 17 5.491 -12.545 4.584 129 HA MET 17 HA MET 17 3.438 -13.892 2.938 130 HB2 MET 17 2HB MET 17 4.319 -15.542 4.422 131 HB3 MET 17 1HB MET 17 4.290 -14.435 5.788 132 HG2 MET 17 2HG MET 17 2.523 -16.115 5.921 133 HG3 MET 17 1HG MET 17 1.871 -14.479 5.815 134 HE1 MET 17 3HE MET 17 -0.507 -15.372 5.233 135 HE2 MET 17 1HE MET 17 0.057 -17.038 5.333 136 HE3 MET 17 2HE MET 17 -0.854 -16.502 3.921 137 H PHE 18 H PHE 18 1.578 -12.786 2.779 138 HA PHE 18 HA PHE 18 0.968 -10.543 4.469 139 HB2 PHE 18 2HB PHE 18 -0.638 -11.994 2.351 140 HB3 PHE 18 1HB PHE 18 -1.265 -10.617 3.248 141 HD1 PHE 18 HD1 PHE 18 -0.157 -8.391 3.014 142 HD2 PHE 18 HD2 PHE 18 0.821 -11.692 0.504 143 HE1 PHE 18 HE1 PHE 18 0.839 -6.848 1.374 144 HE2 PHE 18 HE2 PHE 18 1.822 -10.153 -1.137 145 HZ PHE 18 HZ PHE 18 1.829 -7.727 -0.703 146 H ILE 19 H ILE 19 0.564 -11.034 6.573 147 HA ILE 19 HA ILE 19 -1.003 -13.287 7.411 148 HB ILE 19 HB ILE 19 -0.405 -10.780 9.010 149 HG12 ILE 19 2HG1 ILE 19 1.247 -13.321 8.778 150 HG13 ILE 19 1HG1 ILE 19 1.677 -11.763 8.079 151 HG21 ILE 19 1HG2 ILE 19 -1.067 -13.612 9.842 152 HG22 ILE 19 2HG2 ILE 19 -2.117 -12.202 9.997 153 HG23 ILE 19 3HG2 ILE 19 -0.633 -12.302 10.944 154 HD11 ILE 19 3HD1 ILE 19 1.822 -10.806 10.331 155 HD12 ILE 19 1HD1 ILE 19 2.918 -12.172 10.113 156 HD13 ILE 19 2HD1 ILE 19 1.418 -12.382 11.015 157 H TYR 20 H TYR 20 -1.613 -9.903 6.758 158 HA TYR 20 HA TYR 20 -4.482 -10.488 6.511 159 HB2 TYR 20 2HB TYR 20 -3.376 -7.978 7.814 160 HB3 TYR 20 1HB TYR 20 -5.073 -8.315 7.497 161 HD1 TYR 20 HD1 TYR 20 -6.161 -10.264 8.725 162 HD2 TYR 20 HD2 TYR 20 -2.359 -8.691 9.811 163 HE1 TYR 20 HE1 TYR 20 -6.375 -11.296 10.948 164 HE2 TYR 20 HE2 TYR 20 -2.555 -9.715 12.031 165 HH TYR 20 HH TYR 20 -4.326 -10.503 13.546 166 H LYS 21 H LYS 21 -5.062 -9.994 4.454 167 HA LYS 21 HA LYS 21 -3.385 -8.373 2.772 168 HB2 LYS 21 2HB LYS 21 -5.052 -8.788 1.028 169 HB3 LYS 21 1HB LYS 21 -4.627 -10.281 1.854 170 HG2 LYS 21 2HG LYS 21 -6.679 -10.291 3.067 171 HG3 LYS 21 1HG LYS 21 -7.079 -8.661 2.525 172 HD2 LYS 21 2HD LYS 21 -6.841 -11.095 0.746 173 HD3 LYS 21 1HD LYS 21 -8.354 -10.383 1.309 174 HE2 LYS 21 2HE LYS 21 -6.292 -9.031 -0.440 175 HE3 LYS 21 1HE LYS 21 -7.849 -9.664 -0.973 176 HZ1 LYS 21 3HZ LYS 21 -8.022 -7.313 -0.665 177 HZ2 LYS 21 1HZ LYS 21 -7.400 -7.407 0.905 178 HZ3 LYS 21 2HZ LYS 21 -8.915 -8.069 0.554 179 HA PRO 22 HA PRO 22 -5.155 -4.328 3.530 180 HB2 PRO 22 2HB PRO 22 -4.922 -3.379 0.904 181 HB3 PRO 22 1HB PRO 22 -3.688 -3.257 2.161 182 HG2 PRO 22 2HG PRO 22 -3.953 -5.247 -0.048 183 HG3 PRO 22 1HG PRO 22 -2.491 -4.507 0.628 184 HD2 PRO 22 2HD PRO 22 -3.190 -7.029 1.221 185 HD3 PRO 22 1HD PRO 22 -2.447 -5.971 2.439 186 H GLN 23 H GLN 23 -7.069 -3.157 3.103 187 HA GLN 23 HA GLN 23 -9.131 -4.677 1.630 188 HB2 GLN 23 2HB GLN 23 -10.682 -3.878 3.523 189 HB3 GLN 23 1HB GLN 23 -9.558 -5.183 3.874 190 HG2 GLN 23 2HG GLN 23 -8.025 -3.567 4.922 191 HG3 GLN 23 1HG GLN 23 -9.186 -2.279 4.602 192 HE21 GLN 23 1HE2 GLN 23 -9.304 -1.852 6.839 193 HE22 GLN 23 2HE2 GLN 23 -10.195 -2.877 7.906 194 H SER 24 H SER 24 -10.797 -3.528 0.654 195 HA SER 24 HA SER 24 -10.076 -0.992 -0.395 196 HB2 SER 24 2HB SER 24 -12.289 -1.075 -1.533 197 HB3 SER 24 1HB SER 24 -11.356 -2.557 -1.741 198 HG SER 24 HG SER 24 -13.781 -2.167 -0.530 199 H LYS 25 H LYS 25 -10.699 1.032 0.071 200 HA LYS 25 HA LYS 25 -12.782 1.472 2.115 201 HB2 LYS 25 2HB LYS 25 -10.074 2.828 2.000 202 HB3 LYS 25 1HB LYS 25 -11.384 3.309 3.067 203 HG2 LYS 25 2HG LYS 25 -9.966 0.646 3.103 204 HG3 LYS 25 1HG LYS 25 -9.712 1.974 4.238 205 HD2 LYS 25 2HD LYS 25 -12.038 1.782 4.992 206 HD3 LYS 25 1HD LYS 25 -12.316 0.485 3.830 207 HE2 LYS 25 2HE LYS 25 -10.540 -0.838 4.985 208 HE3 LYS 25 1HE LYS 25 -10.463 0.426 6.213 209 HZ1 LYS 25 3HZ LYS 25 -11.888 -1.334 6.961 210 HZ2 LYS 25 1HZ LYS 25 -12.822 -1.249 5.549 211 HZ3 LYS 25 2HZ LYS 25 -12.834 0.032 6.651 212 H LYS 26 H LYS 26 -13.946 3.450 1.920 213 HA LYS 26 HA LYS 26 -13.506 4.899 -0.616 214 HB2 LYS 26 2HB LYS 26 -15.859 5.436 -0.663 215 HB3 LYS 26 1HB LYS 26 -15.669 3.699 -0.484 216 HG2 LYS 26 2HG LYS 26 -16.232 3.808 1.846 217 HG3 LYS 26 1HG LYS 26 -16.238 5.574 1.805 218 HD2 LYS 26 2HD LYS 26 -18.109 5.480 0.164 219 HD3 LYS 26 1HD LYS 26 -18.142 3.725 0.355 220 HE2 LYS 26 2HE LYS 26 -18.706 3.956 2.700 221 HE3 LYS 26 1HE LYS 26 -18.548 5.709 2.599 222 HZ1 LYS 26 3HZ LYS 26 -20.854 5.033 2.508 223 HZ2 LYS 26 1HZ LYS 26 -20.555 4.063 1.157 224 HZ3 LYS 26 2HZ LYS 26 -20.397 5.742 1.043 225 H VAL 27 H VAL 27 -13.622 7.153 -0.654 226 HA VAL 27 HA VAL 27 -13.952 8.625 1.861 227 HB VAL 27 HB VAL 27 -11.893 9.962 1.451 228 HG11 VAL 27 1HG1 VAL 27 -10.278 8.305 2.257 229 HG12 VAL 27 2HG1 VAL 27 -11.383 7.005 1.808 230 HG13 VAL 27 3HG1 VAL 27 -11.832 8.145 3.077 231 HG21 VAL 27 3HG2 VAL 27 -11.287 7.855 -0.629 232 HG22 VAL 27 1HG2 VAL 27 -10.173 9.109 -0.079 233 HG23 VAL 27 2HG2 VAL 27 -11.647 9.554 -0.940 234 H LEU 28 H LEU 28 -13.652 11.109 1.323 235 HA LEU 28 HA LEU 28 -15.172 11.701 -1.130 236 HB2 LEU 28 2HB LEU 28 -14.709 13.299 1.391 237 HB3 LEU 28 1HB LEU 28 -15.497 13.958 -0.030 238 HG LEU 28 HG LEU 28 -16.532 11.571 1.520 239 HD11 LEU 28 1HD1 LEU 28 -17.423 14.458 1.642 240 HD12 LEU 28 2HD1 LEU 28 -16.562 13.588 2.914 241 HD13 LEU 28 3HD1 LEU 28 -18.192 13.097 2.459 242 HD21 LEU 28 3HD2 LEU 28 -17.224 11.692 -0.851 243 HD22 LEU 28 1HD2 LEU 28 -17.864 13.311 -0.567 244 HD23 LEU 28 2HD2 LEU 28 -18.577 11.922 0.255 245 H GLU 29 H GLU 29 -14.570 13.570 -2.426 246 HA GLU 29 HA GLU 29 -11.840 13.634 -3.112 247 HB2 GLU 29 2HB GLU 29 -14.028 15.606 -3.812 248 HB3 GLU 29 1HB GLU 29 -12.447 15.545 -4.580 249 HG2 GLU 29 2HG GLU 29 -12.979 13.187 -5.261 250 HG3 GLU 29 1HG GLU 29 -14.620 13.469 -4.684 251 H GLY 30 H GLY 30 -10.291 14.391 -1.806 252 HA2 GLY 30 2HA GLY 30 -9.125 16.463 -1.187 253 HA3 GLY 30 1HA GLY 30 -10.662 17.080 -0.607 254 H ASP 31 H ASP 31 -10.832 14.022 0.371 255 HA ASP 31 HA ASP 31 -9.779 14.632 3.025 256 HB2 ASP 31 2HB ASP 31 -11.602 12.467 1.967 257 HB3 ASP 31 1HB ASP 31 -10.976 12.446 3.614 258 H SER 32 H SER 32 -9.275 12.073 4.001 259 HA SER 32 HA SER 32 -6.924 11.190 2.456 260 HB2 SER 32 2HB SER 32 -5.602 11.066 4.542 261 HB3 SER 32 1HB SER 32 -6.117 12.716 4.194 262 HG SER 32 HG SER 32 -6.527 12.363 6.332 263 H VAL 33 H VAL 33 -6.129 9.074 2.980 264 HA VAL 33 HA VAL 33 -7.887 7.336 4.560 265 HB VAL 33 HB VAL 33 -8.645 7.240 2.167 266 HG11 VAL 33 1HG1 VAL 33 -6.478 7.555 1.080 267 HG12 VAL 33 2HG1 VAL 33 -7.259 6.077 0.518 268 HG13 VAL 33 3HG1 VAL 33 -5.936 5.986 1.682 269 HG21 VAL 33 3HG2 VAL 33 -7.502 4.683 3.312 270 HG22 VAL 33 1HG2 VAL 33 -8.729 4.775 2.047 271 HG23 VAL 33 2HG2 VAL 33 -9.085 5.375 3.666 272 H LYS 34 H LYS 34 -6.872 5.361 5.240 273 HA LYS 34 HA LYS 34 -4.004 5.102 4.653 274 HB2 LYS 34 2HB LYS 34 -3.559 4.540 7.029 275 HB3 LYS 34 1HB LYS 34 -4.073 6.205 6.795 276 HG2 LYS 34 2HG LYS 34 -6.207 5.790 7.715 277 HG3 LYS 34 1HG LYS 34 -6.002 4.041 7.606 278 HD2 LYS 34 2HD LYS 34 -4.424 5.888 9.406 279 HD3 LYS 34 1HD LYS 34 -5.758 4.848 9.916 280 HE2 LYS 34 2HE LYS 34 -4.466 2.876 9.162 281 HE3 LYS 34 1HE LYS 34 -3.125 3.939 8.741 282 HZ1 LYS 34 3HZ LYS 34 -2.851 2.872 10.906 283 HZ2 LYS 34 1HZ LYS 34 -4.256 3.629 11.464 284 HZ3 LYS 34 2HZ LYS 34 -2.907 4.558 11.039 285 H LEU 35 H LEU 35 -3.480 3.132 4.015 286 HA LEU 35 HA LEU 35 -5.248 0.857 4.698 287 HB2 LEU 35 2HB LEU 35 -3.415 1.220 2.315 288 HB3 LEU 35 1HB LEU 35 -4.396 -0.199 2.630 289 HG LEU 35 HG LEU 35 -5.462 2.576 2.062 290 HD11 LEU 35 1HD1 LEU 35 -6.198 1.643 -0.075 291 HD12 LEU 35 2HD1 LEU 35 -5.409 0.113 0.315 292 HD13 LEU 35 3HD1 LEU 35 -4.443 1.573 0.088 293 HD21 LEU 35 3HD2 LEU 35 -6.967 1.372 3.515 294 HD22 LEU 35 1HD2 LEU 35 -6.899 -0.047 2.469 295 HD23 LEU 35 2HD2 LEU 35 -7.650 1.441 1.891 296 H GLU 36 H GLU 36 -4.367 -0.474 6.207 297 HA GLU 36 HA GLU 36 -1.432 -0.808 6.203 298 HB2 GLU 36 2HB GLU 36 -1.507 -1.025 8.666 299 HB3 GLU 36 1HB GLU 36 -2.008 0.561 8.099 300 HG2 GLU 36 2HG GLU 36 -4.317 0.055 8.507 301 HG3 GLU 36 1HG GLU 36 -3.935 -1.629 8.868 302 H CYS 37 H CYS 37 -0.577 -2.810 6.548 303 HA CYS 37 HA CYS 37 -2.333 -5.081 7.143 304 HB2 CYS 37 2HB CYS 37 -1.492 -6.350 5.191 305 HB3 CYS 37 1HB CYS 37 -2.402 -4.923 4.710 306 HG CYS 37 HG CYS 37 0.795 -5.708 4.145 307 H GLN 38 H GLN 38 -1.023 -7.162 7.349 308 HA GLN 38 HA GLN 38 1.571 -6.565 8.635 309 HB2 GLN 38 2HB GLN 38 -0.321 -8.882 9.101 310 HB3 GLN 38 1HB GLN 38 1.224 -8.663 9.913 311 HG2 GLN 38 2HG GLN 38 -1.109 -6.762 10.095 312 HG3 GLN 38 1HG GLN 38 -0.722 -8.004 11.282 313 HE21 GLN 38 1HE2 GLN 38 2.171 -7.570 11.053 314 HE22 GLN 38 2HE2 GLN 38 2.481 -6.082 11.873 315 H ILE 39 H ILE 39 3.298 -7.137 7.458 316 HA ILE 39 HA ILE 39 3.165 -9.597 5.819 317 HB ILE 39 HB ILE 39 4.885 -7.151 5.326 318 HG12 ILE 39 2HG1 ILE 39 2.496 -8.198 3.772 319 HG13 ILE 39 1HG1 ILE 39 2.496 -6.769 4.799 320 HG21 ILE 39 1HG2 ILE 39 4.592 -9.698 3.717 321 HG22 ILE 39 2HG2 ILE 39 6.014 -9.197 4.631 322 HG23 ILE 39 3HG2 ILE 39 5.506 -8.275 3.217 323 HD11 ILE 39 3HD1 ILE 39 2.652 -6.177 2.450 324 HD12 ILE 39 1HD1 ILE 39 4.124 -7.131 2.292 325 HD13 ILE 39 2HD1 ILE 39 4.111 -5.696 3.319 326 H SER 40 H SER 40 4.311 -11.204 6.758 327 HA SER 40 HA SER 40 6.566 -10.521 8.516 328 HB2 SER 40 2HB SER 40 4.899 -12.069 9.430 329 HB3 SER 40 1HB SER 40 5.168 -13.177 8.084 330 HG SER 40 HG SER 40 6.432 -13.951 9.683 331 H ALA 41 H ALA 41 8.356 -10.160 7.302 332 HA ALA 41 HA ALA 41 9.404 -12.468 5.792 333 HB1 ALA 41 3HB ALA 41 10.386 -11.013 4.128 334 HB2 ALA 41 1HB ALA 41 9.772 -9.588 4.967 335 HB3 ALA 41 2HB ALA 41 8.649 -10.718 4.211 336 H ILE 42 H ILE 42 11.726 -12.655 5.777 337 HA ILE 42 HA ILE 42 13.212 -10.929 7.642 338 HB ILE 42 HB ILE 42 13.298 -13.961 7.759 339 HG12 ILE 42 2HG1 ILE 42 12.301 -11.946 9.803 340 HG13 ILE 42 1HG1 ILE 42 11.290 -13.018 8.838 341 HG21 ILE 42 1HG2 ILE 42 14.871 -13.649 9.625 342 HG22 ILE 42 2HG2 ILE 42 14.838 -11.905 9.360 343 HG23 ILE 42 3HG2 ILE 42 15.500 -12.973 8.123 344 HD11 ILE 42 3HD1 ILE 42 13.305 -13.881 10.905 345 HD12 ILE 42 1HD1 ILE 42 12.300 -14.953 9.930 346 HD13 ILE 42 2HD1 ILE 42 11.551 -13.863 11.095 347 HA PRO 43 HA PRO 43 14.585 -9.595 7.450 348 HB2 PRO 43 2HB PRO 43 15.843 -7.752 5.943 349 HB3 PRO 43 1HB PRO 43 16.746 -8.949 6.881 350 HG2 PRO 43 2HG PRO 43 16.063 -8.963 3.958 351 HG3 PRO 43 1HG PRO 43 17.614 -9.320 4.742 352 HD2 PRO 43 2HD PRO 43 15.878 -11.256 3.915 353 HD3 PRO 43 1HD PRO 43 16.982 -11.466 5.289 354 HA PRO 44 HA PRO 44 11.072 -7.358 5.751 355 HB2 PRO 44 2HB PRO 44 12.032 -4.716 5.555 356 HB3 PRO 44 1HB PRO 44 11.223 -5.435 6.949 357 HG2 PRO 44 2HG PRO 44 14.146 -5.079 6.428 358 HG3 PRO 44 1HG PRO 44 13.247 -4.936 7.952 359 HD2 PRO 44 2HD PRO 44 14.736 -7.095 7.445 360 HD3 PRO 44 1HD PRO 44 13.166 -7.253 8.262 361 HA PRO 45 HA PRO 45 12.088 -7.207 1.400 362 HB2 PRO 45 2HB PRO 45 9.623 -7.370 0.411 363 HB3 PRO 45 1HB PRO 45 10.293 -8.694 1.372 364 HG2 PRO 45 2HG PRO 45 8.339 -6.574 2.173 365 HG3 PRO 45 1HG PRO 45 8.365 -8.294 2.604 366 HD2 PRO 45 2HD PRO 45 9.334 -6.190 4.188 367 HD3 PRO 45 1HD PRO 45 9.704 -7.911 4.408 368 H LYS 46 H LYS 46 11.643 -5.957 -0.579 369 HA LYS 46 HA LYS 46 11.248 -3.130 -0.062 370 HB2 LYS 46 2HB LYS 46 13.011 -3.903 -1.621 371 HB3 LYS 46 1HB LYS 46 11.775 -4.586 -2.671 372 HG2 LYS 46 2HG LYS 46 12.590 -2.449 -3.515 373 HG3 LYS 46 1HG LYS 46 10.877 -2.370 -3.103 374 HD2 LYS 46 2HD LYS 46 11.470 -1.304 -0.951 375 HD3 LYS 46 1HD LYS 46 13.171 -1.339 -1.422 376 HE2 LYS 46 2HE LYS 46 12.701 0.110 -3.318 377 HE3 LYS 46 1HE LYS 46 10.980 0.088 -2.934 378 HZ1 LYS 46 3HZ LYS 46 13.151 1.263 -1.294 379 HZ2 LYS 46 1HZ LYS 46 11.545 1.130 -0.784 380 HZ3 LYS 46 2HZ LYS 46 11.936 2.097 -2.116 381 H LEU 47 H LEU 47 9.403 -2.001 -0.422 382 HA LEU 47 HA LEU 47 7.049 -3.533 -1.303 383 HB2 LEU 47 2HB LEU 47 7.171 -0.904 0.176 384 HB3 LEU 47 1HB LEU 47 5.744 -1.889 -0.085 385 HG LEU 47 HG LEU 47 8.130 -2.734 1.574 386 HD11 LEU 47 1HD1 LEU 47 5.436 -1.725 2.479 387 HD12 LEU 47 2HD1 LEU 47 6.963 -0.851 2.602 388 HD13 LEU 47 3HD1 LEU 47 6.722 -2.340 3.518 389 HD21 LEU 47 3HD2 LEU 47 6.639 -4.525 2.360 390 HD22 LEU 47 1HD2 LEU 47 6.935 -4.626 0.625 391 HD23 LEU 47 2HD2 LEU 47 5.403 -3.988 1.220 392 H PHE 48 H PHE 48 6.344 -3.191 -3.326 393 HA PHE 48 HA PHE 48 6.669 -0.506 -4.528 394 HB2 PHE 48 2HB PHE 48 6.315 -3.198 -5.879 395 HB3 PHE 48 1HB PHE 48 6.388 -1.656 -6.723 396 HD1 PHE 48 HD1 PHE 48 8.512 -0.282 -6.535 397 HD2 PHE 48 HD2 PHE 48 8.279 -4.360 -5.323 398 HE1 PHE 48 HE1 PHE 48 10.962 -0.455 -6.657 399 HE2 PHE 48 HE2 PHE 48 10.728 -4.535 -5.446 400 HZ PHE 48 HZ PHE 48 12.072 -2.586 -6.106 401 H TRP 49 H TRP 49 4.855 0.676 -4.523 402 HA TRP 49 HA TRP 49 2.244 -0.676 -4.755 403 HB2 TRP 49 2HB TRP 49 2.977 2.058 -3.686 404 HB3 TRP 49 1HB TRP 49 1.318 1.557 -3.986 405 HD1 TRP 49 HD1 TRP 49 4.313 0.667 -1.712 406 HE1 TRP 49 HE1 TRP 49 3.387 -0.453 0.411 407 HE3 TRP 49 HE3 TRP 49 -0.618 0.347 -3.039 408 HZ2 TRP 49 HZ2 TRP 49 0.905 -1.354 1.396 409 HZ3 TRP 49 HZ3 TRP 49 -2.206 -0.663 -1.448 410 HH2 TRP 49 HH2 TRP 49 -1.456 -1.496 0.726 411 H LYS 50 H LYS 50 1.167 -0.542 -6.611 412 HA LYS 50 HA LYS 50 1.799 1.661 -8.482 413 HB2 LYS 50 2HB LYS 50 2.751 -0.471 -9.239 414 HB3 LYS 50 1HB LYS 50 1.167 -1.228 -9.139 415 HG2 LYS 50 2HG LYS 50 0.342 0.190 -10.929 416 HG3 LYS 50 1HG LYS 50 1.877 1.060 -10.976 417 HD2 LYS 50 2HD LYS 50 1.765 -0.572 -12.784 418 HD3 LYS 50 1HD LYS 50 3.026 -1.015 -11.632 419 HE2 LYS 50 2HE LYS 50 1.446 -2.610 -10.581 420 HE3 LYS 50 1HE LYS 50 0.257 -2.210 -11.821 421 HZ1 LYS 50 3HZ LYS 50 2.909 -3.472 -12.245 422 HZ2 LYS 50 1HZ LYS 50 1.875 -2.980 -13.490 423 HZ3 LYS 50 2HZ LYS 50 1.395 -4.202 -12.429 424 H ARG 51 H ARG 51 0.104 2.854 -9.127 425 HA ARG 51 HA ARG 51 -2.627 1.893 -8.523 426 HB2 ARG 51 2HB ARG 51 -1.958 3.992 -7.396 427 HB3 ARG 51 1HB ARG 51 -1.629 4.724 -8.962 428 HG2 ARG 51 2HG ARG 51 -4.086 4.210 -9.511 429 HG3 ARG 51 1HG ARG 51 -4.277 3.937 -7.780 430 HD2 ARG 51 2HD ARG 51 -4.903 6.187 -8.173 431 HD3 ARG 51 1HD ARG 51 -3.304 6.243 -7.429 432 HE ARG 51 HE ARG 51 -2.388 6.692 -9.639 433 HH11 ARG 51 1HH1 ARG 51 -5.796 6.980 -9.321 434 HH12 ARG 51 2HH1 ARG 51 -5.946 8.072 -10.648 435 HH21 ARG 51 1HH2 ARG 51 -2.593 8.065 -11.386 436 HH22 ARG 51 2HH2 ARG 51 -4.152 8.689 -11.795 437 H ASN 52 H ASN 52 -3.631 1.101 -10.305 438 HA ASN 52 HA ASN 52 -4.395 0.898 -12.458 439 HB2 ASN 52 2HB ASN 52 -5.418 3.073 -11.564 440 HB3 ASN 52 1HB ASN 52 -4.213 3.919 -12.524 441 HD21 ASN 52 1HD2 ASN 52 -7.107 2.022 -12.592 442 HD22 ASN 52 2HD2 ASN 52 -7.487 2.307 -14.252 443 H ASN 53 H ASN 53 -1.807 0.318 -12.499 444 HA ASN 53 HA ASN 53 -0.103 -0.064 -13.944 445 HB2 ASN 53 2HB ASN 53 -1.486 1.898 -15.783 446 HB3 ASN 53 1HB ASN 53 -0.110 0.891 -16.223 447 HD21 ASN 53 1HD2 ASN 53 -2.831 0.988 -17.302 448 HD22 ASN 53 2HD2 ASN 53 -3.452 -0.616 -17.161 449 H GLU 54 H GLU 54 -0.730 3.056 -12.669 450 HA GLU 54 HA GLU 54 1.853 4.140 -13.491 451 HB2 GLU 54 2HB GLU 54 -0.281 5.301 -11.688 452 HB3 GLU 54 1HB GLU 54 1.214 6.119 -12.116 453 HG2 GLU 54 2HG GLU 54 0.456 5.850 -14.544 454 HG3 GLU 54 1HG GLU 54 -1.124 5.451 -13.870 455 H MET 55 H MET 55 3.678 4.098 -12.323 456 HA MET 55 HA MET 55 3.871 2.740 -9.817 457 HB2 MET 55 2HB MET 55 5.723 2.836 -11.457 458 HB3 MET 55 1HB MET 55 5.862 4.567 -11.196 459 HG2 MET 55 2HG MET 55 7.532 3.879 -9.831 460 HG3 MET 55 1HG MET 55 6.204 3.775 -8.680 461 HE1 MET 55 3HE MET 55 5.168 1.503 -7.790 462 HE2 MET 55 1HE MET 55 5.517 -0.072 -8.505 463 HE3 MET 55 2HE MET 55 4.641 1.143 -9.434 464 H VAL 56 H VAL 56 3.506 3.541 -7.801 465 HA VAL 56 HA VAL 56 2.776 6.315 -7.483 466 HB VAL 56 HB VAL 56 2.998 4.130 -5.394 467 HG11 VAL 56 1HG1 VAL 56 1.684 6.852 -5.242 468 HG12 VAL 56 2HG1 VAL 56 3.131 6.338 -4.373 469 HG13 VAL 56 3HG1 VAL 56 1.575 5.591 -4.013 470 HG21 VAL 56 3HG2 VAL 56 1.347 3.571 -7.087 471 HG22 VAL 56 1HG2 VAL 56 0.602 5.164 -6.931 472 HG23 VAL 56 2HG2 VAL 56 0.535 4.021 -5.589 473 H GLN 57 H GLN 57 3.990 7.952 -6.742 474 HA GLN 57 HA GLN 57 6.704 7.378 -5.765 475 HB2 GLN 57 2HB GLN 57 5.533 9.950 -6.853 476 HB3 GLN 57 1HB GLN 57 7.196 9.734 -6.326 477 HG2 GLN 57 2HG GLN 57 7.480 8.002 -8.080 478 HG3 GLN 57 1HG GLN 57 5.849 8.358 -8.644 479 HE21 GLN 57 1HE2 GLN 57 8.098 10.797 -7.484 480 HE22 GLN 57 2HE2 GLN 57 8.344 11.553 -9.016 481 H PHE 58 H PHE 58 7.303 7.859 -3.722 482 HA PHE 58 HA PHE 58 5.207 8.931 -1.953 483 HB2 PHE 58 2HB PHE 58 7.667 7.329 -1.213 484 HB3 PHE 58 1HB PHE 58 6.315 7.729 -0.157 485 HD1 PHE 58 HD1 PHE 58 3.964 6.899 -0.969 486 HD2 PHE 58 HD2 PHE 58 7.677 5.282 -2.306 487 HE1 PHE 58 HE1 PHE 58 2.818 4.835 -1.654 488 HE2 PHE 58 HE2 PHE 58 6.529 3.216 -2.994 489 HZ PHE 58 HZ PHE 58 4.100 2.991 -2.668 490 H ASN 59 H ASN 59 7.521 10.354 -3.551 491 HA ASN 59 HA ASN 59 8.970 11.695 -1.431 492 HB2 ASN 59 2HB ASN 59 9.962 13.013 -3.309 493 HB3 ASN 59 1HB ASN 59 10.136 11.272 -3.501 494 HD21 ASN 59 1HD2 ASN 59 8.651 14.143 -4.719 495 HD22 ASN 59 2HD2 ASN 59 8.023 13.442 -6.165 496 H THR 60 H THR 60 6.301 12.048 -0.963 497 HA THR 60 HA THR 60 6.029 14.945 -1.158 498 HB THR 60 HB THR 60 4.738 14.493 -3.061 499 HG1 THR 60 HG1 THR 60 3.387 15.759 -1.946 500 HG21 THR 60 3HG2 THR 60 3.516 12.153 -1.591 501 HG22 THR 60 1HG2 THR 60 4.682 12.064 -2.911 502 HG23 THR 60 2HG2 THR 60 3.060 12.691 -3.207 503 H ASP 61 H ASP 61 4.295 15.794 0.261 504 HA ASP 61 HA ASP 61 4.129 14.329 2.758 505 HB2 ASP 61 2HB ASP 61 4.513 16.752 2.790 506 HB3 ASP 61 1HB ASP 61 2.994 17.024 1.944 507 H ARG 62 H ARG 62 2.169 14.771 -0.030 508 HA ARG 62 HA ARG 62 -0.351 14.217 1.300 509 HB2 ARG 62 2HB ARG 62 0.303 14.505 -1.643 510 HB3 ARG 62 1HB ARG 62 -1.319 14.357 -0.974 511 HG2 ARG 62 2HG ARG 62 -0.974 16.443 0.290 512 HG3 ARG 62 1HG ARG 62 0.626 16.600 -0.434 513 HD2 ARG 62 2HD ARG 62 -0.381 16.773 -2.651 514 HD3 ARG 62 1HD ARG 62 -1.988 16.561 -1.949 515 HE ARG 62 HE ARG 62 -0.541 18.762 -0.820 516 HH11 ARG 62 1HH1 ARG 62 -2.529 17.809 -3.462 517 HH12 ARG 62 2HH1 ARG 62 -3.134 19.404 -3.720 518 HH21 ARG 62 1HH2 ARG 62 -1.315 20.808 -1.168 519 HH22 ARG 62 2HH2 ARG 62 -2.454 21.083 -2.440 520 H ILE 63 H ILE 63 1.955 12.462 -0.711 521 HA ILE 63 HA ILE 63 0.470 9.970 -0.123 522 HB ILE 63 HB ILE 63 2.414 10.438 -2.404 523 HG12 ILE 63 2HG1 ILE 63 0.299 11.656 -2.753 524 HG13 ILE 63 1HG1 ILE 63 0.462 10.320 -3.886 525 HG21 ILE 63 1HG2 ILE 63 2.444 8.140 -1.629 526 HG22 ILE 63 2HG2 ILE 63 1.645 8.235 -3.198 527 HG23 ILE 63 3HG2 ILE 63 0.686 8.053 -1.729 528 HD11 ILE 63 3HD1 ILE 63 -1.062 8.984 -2.523 529 HD12 ILE 63 1HD1 ILE 63 -1.803 10.493 -3.055 530 HD13 ILE 63 2HD1 ILE 63 -1.228 10.332 -1.396 531 H SER 64 H SER 64 1.482 8.549 1.200 532 HA SER 64 HA SER 64 4.406 8.598 1.436 533 HB2 SER 64 2HB SER 64 2.577 8.989 3.826 534 HB3 SER 64 1HB SER 64 4.323 8.756 3.902 535 HG SER 64 HG SER 64 3.975 10.738 2.239 536 H LEU 65 H LEU 65 5.323 6.752 2.399 537 HA LEU 65 HA LEU 65 3.515 4.535 3.105 538 HB2 LEU 65 2HB LEU 65 4.165 4.181 0.776 539 HB3 LEU 65 1HB LEU 65 5.858 4.367 1.195 540 HG LEU 65 HG LEU 65 5.632 2.313 2.646 541 HD11 LEU 65 1HD1 LEU 65 2.990 2.032 1.217 542 HD12 LEU 65 2HD1 LEU 65 3.210 2.358 2.935 543 HD13 LEU 65 3HD1 LEU 65 3.747 0.823 2.256 544 HD21 LEU 65 3HD2 LEU 65 5.723 0.741 0.755 545 HD22 LEU 65 1HD2 LEU 65 6.679 2.193 0.462 546 HD23 LEU 65 2HD2 LEU 65 5.106 2.002 -0.312 547 H TYR 66 H TYR 66 4.146 3.519 4.952 548 HA TYR 66 HA TYR 66 7.000 3.419 5.587 549 HB2 TYR 66 2HB TYR 66 6.676 4.099 7.910 550 HB3 TYR 66 1HB TYR 66 6.179 5.374 6.811 551 HD1 TYR 66 HD2 TYR 66 3.783 5.935 6.553 552 HD2 TYR 66 HD1 TYR 66 5.088 3.033 9.385 553 HE1 TYR 66 HE2 TYR 66 1.627 6.107 7.722 554 HE2 TYR 66 HE1 TYR 66 2.934 3.203 10.562 555 HH TYR 66 HH TYR 66 1.095 4.722 10.826 556 H GLN 67 H GLN 67 7.666 1.590 6.600 557 HA GLN 67 HA GLN 67 5.590 -0.377 7.335 558 HB2 GLN 67 2HB GLN 67 7.259 -2.137 6.839 559 HB3 GLN 67 1HB GLN 67 6.872 -1.159 5.432 560 HG2 GLN 67 2HG GLN 67 8.951 0.062 5.661 561 HG3 GLN 67 1HG GLN 67 9.332 -0.815 7.142 562 HE21 GLN 67 1HE2 GLN 67 9.142 -1.009 3.671 563 HE22 GLN 67 2HE2 GLN 67 9.989 -2.506 3.515 564 H ASP 68 H ASP 68 5.492 -0.945 9.408 565 HA ASP 68 HA ASP 68 7.274 0.175 11.334 566 HB2 ASP 68 2HB ASP 68 4.819 -0.174 11.700 567 HB3 ASP 68 1HB ASP 68 5.115 -1.909 11.754 568 H ASN 69 H ASN 69 8.383 -1.106 12.994 569 HA ASN 69 HA ASN 69 10.249 -2.852 11.808 570 HB2 ASN 69 2HB ASN 69 9.707 -2.335 14.740 571 HB3 ASN 69 1HB ASN 69 11.166 -3.074 14.080 572 HD21 ASN 69 1HD2 ASN 69 10.761 -0.557 15.603 573 HD22 ASN 69 2HD2 ASN 69 11.457 0.683 14.622 574 H THR 70 H THR 70 7.198 -3.528 13.297 575 HA THR 70 HA THR 70 7.761 -6.358 13.711 576 HB THR 70 HB THR 70 6.158 -5.136 15.183 577 HG1 THR 70 HG1 THR 70 5.450 -7.460 13.742 578 HG21 THR 70 3HG2 THR 70 4.371 -5.155 12.740 579 HG22 THR 70 1HG2 THR 70 5.102 -3.721 13.467 580 HG23 THR 70 2HG2 THR 70 3.906 -4.653 14.365 581 H GLY 71 H GLY 71 7.213 -4.567 10.990 582 HA2 GLY 71 2HA GLY 71 7.046 -5.505 8.823 583 HA3 GLY 71 1HA GLY 71 6.275 -6.923 9.512 584 H ARG 72 H ARG 72 4.988 -3.914 10.593 585 HA ARG 72 HA ARG 72 2.540 -4.409 9.092 586 HB2 ARG 72 2HB ARG 72 2.306 -3.866 11.452 587 HB3 ARG 72 1HB ARG 72 3.168 -2.349 11.224 588 HG2 ARG 72 2HG ARG 72 1.354 -1.586 9.713 589 HG3 ARG 72 1HG ARG 72 0.481 -3.077 10.057 590 HD2 ARG 72 2HD ARG 72 1.296 -1.052 12.143 591 HD3 ARG 72 1HD ARG 72 -0.293 -1.118 11.382 592 HE ARG 72 HE ARG 72 0.504 -3.588 12.632 593 HH11 ARG 72 1HH1 ARG 72 -0.966 -0.528 13.117 594 HH12 ARG 72 2HH1 ARG 72 -1.867 -1.045 14.498 595 HH21 ARG 72 1HH2 ARG 72 -0.666 -4.264 14.415 596 HH22 ARG 72 2HH2 ARG 72 -1.708 -3.142 15.218 597 H VAL 73 H VAL 73 2.303 -3.568 7.118 598 HA VAL 73 HA VAL 73 3.797 -1.165 6.344 599 HB VAL 73 HB VAL 73 2.103 -3.037 4.668 600 HG11 VAL 73 1HG1 VAL 73 3.987 -0.831 3.819 601 HG12 VAL 73 2HG1 VAL 73 2.230 -0.819 3.670 602 HG13 VAL 73 3HG1 VAL 73 3.185 -1.970 2.735 603 HG21 VAL 73 3HG2 VAL 73 4.241 -3.922 3.845 604 HG22 VAL 73 1HG2 VAL 73 4.065 -4.163 5.584 605 HG23 VAL 73 2HG2 VAL 73 5.107 -2.878 4.972 606 H THR 74 H THR 74 2.833 0.794 5.872 607 HA THR 74 HA THR 74 -0.109 0.908 5.735 608 HB THR 74 HB THR 74 1.555 2.799 7.428 609 HG1 THR 74 HG1 THR 74 0.538 0.419 8.024 610 HG21 THR 74 3HG2 THR 74 -0.342 3.938 6.390 611 HG22 THR 74 1HG2 THR 74 -0.631 3.722 8.116 612 HG23 THR 74 2HG2 THR 74 -1.435 2.670 6.949 613 H LEU 75 H LEU 75 -0.783 1.972 4.009 614 HA LEU 75 HA LEU 75 0.963 3.932 2.685 615 HB2 LEU 75 2HB LEU 75 0.080 2.128 1.285 616 HB3 LEU 75 1HB LEU 75 -1.561 2.563 1.729 617 HG LEU 75 HG LEU 75 -1.240 4.769 0.605 618 HD11 LEU 75 1HD1 LEU 75 0.667 5.080 -0.893 619 HD12 LEU 75 2HD1 LEU 75 1.371 3.567 -0.321 620 HD13 LEU 75 3HD1 LEU 75 1.186 4.928 0.785 621 HD21 LEU 75 3HD2 LEU 75 -0.745 2.370 -1.161 622 HD22 LEU 75 1HD2 LEU 75 -1.407 3.922 -1.674 623 HD23 LEU 75 2HD2 LEU 75 -2.317 2.900 -0.562 624 H LEU 76 H LEU 76 0.496 6.063 2.676 625 HA LEU 76 HA LEU 76 -2.074 6.954 3.843 626 HB2 LEU 76 2HB LEU 76 0.590 8.393 3.843 627 HB3 LEU 76 1HB LEU 76 -0.894 8.978 4.572 628 HG LEU 76 HG LEU 76 0.663 6.539 5.457 629 HD11 LEU 76 1HD1 LEU 76 1.191 7.850 7.442 630 HD12 LEU 76 2HD1 LEU 76 0.325 9.234 6.775 631 HD13 LEU 76 3HD1 LEU 76 1.789 8.646 5.987 632 HD21 LEU 76 3HD2 LEU 76 -0.894 6.463 7.342 633 HD22 LEU 76 1HD2 LEU 76 -1.743 6.259 5.811 634 HD23 LEU 76 2HD2 LEU 76 -1.807 7.808 6.654 635 H ILE 77 H ILE 77 -3.388 8.137 2.588 636 HA ILE 77 HA ILE 77 -2.264 9.548 0.243 637 HB ILE 77 HB ILE 77 -4.848 7.965 0.294 638 HG12 ILE 77 2HG1 ILE 77 -2.269 7.465 -1.228 639 HG13 ILE 77 1HG1 ILE 77 -2.826 6.547 0.167 640 HG21 ILE 77 1HG2 ILE 77 -5.029 9.994 -1.076 641 HG22 ILE 77 2HG2 ILE 77 -5.059 8.539 -2.071 642 HG23 ILE 77 3HG2 ILE 77 -3.592 9.514 -1.981 643 HD11 ILE 77 3HD1 ILE 77 -4.195 6.706 -2.507 644 HD12 ILE 77 1HD1 ILE 77 -4.764 5.788 -1.111 645 HD13 ILE 77 2HD1 ILE 77 -3.244 5.353 -1.895 646 H LYS 78 H LYS 78 -2.646 11.672 0.402 647 HA LYS 78 HA LYS 78 -5.049 12.631 1.845 648 HB2 LYS 78 2HB LYS 78 -2.507 14.174 1.285 649 HB3 LYS 78 1HB LYS 78 -3.839 14.672 2.315 650 HG2 LYS 78 2HG LYS 78 -3.298 12.935 3.920 651 HG3 LYS 78 1HG LYS 78 -2.020 12.324 2.860 652 HD2 LYS 78 2HD LYS 78 -0.894 14.540 3.030 653 HD3 LYS 78 1HD LYS 78 -2.124 15.045 4.186 654 HE2 LYS 78 2HE LYS 78 -1.414 13.324 5.742 655 HE3 LYS 78 1HE LYS 78 -0.256 12.698 4.565 656 HZ1 LYS 78 3HZ LYS 78 0.903 14.832 4.652 657 HZ2 LYS 78 1HZ LYS 78 0.847 14.101 6.178 658 HZ3 LYS 78 2HZ LYS 78 -0.188 15.391 5.817 659 H ASP 79 H ASP 79 -6.227 14.414 0.971 660 HA ASP 79 HA ASP 79 -7.121 15.814 -0.583 661 HB2 ASP 79 2HB ASP 79 -4.782 16.765 -0.383 662 HB3 ASP 79 1HB ASP 79 -4.357 15.856 -1.827 663 H VAL 80 H VAL 80 -7.045 12.894 -1.107 664 HA VAL 80 HA VAL 80 -6.605 12.432 -3.886 665 HB VAL 80 HB VAL 80 -6.514 10.681 -2.086 666 HG11 VAL 80 1HG1 VAL 80 -9.521 10.802 -2.243 667 HG12 VAL 80 2HG1 VAL 80 -8.541 11.320 -0.869 668 HG13 VAL 80 3HG1 VAL 80 -8.573 9.620 -1.343 669 HG21 VAL 80 3HG2 VAL 80 -8.321 10.127 -4.436 670 HG22 VAL 80 1HG2 VAL 80 -7.560 8.890 -3.434 671 HG23 VAL 80 2HG2 VAL 80 -6.564 9.987 -4.388 672 H ASN 81 H ASN 81 -8.000 12.592 -5.611 673 HA ASN 81 HA ASN 81 -10.856 13.097 -5.009 674 HB2 ASN 81 2HB ASN 81 -11.047 14.730 -6.690 675 HB3 ASN 81 1HB ASN 81 -9.559 15.123 -5.850 676 HD21 ASN 81 1HD2 ASN 81 -8.144 12.885 -7.333 677 HD22 ASN 81 2HD2 ASN 81 -7.856 13.566 -8.882 678 H LYS 82 H LYS 82 -12.126 12.859 -7.331 679 HA LYS 82 HA LYS 82 -12.481 10.161 -7.709 680 HB2 LYS 82 2HB LYS 82 -12.891 12.383 -9.715 681 HB3 LYS 82 1HB LYS 82 -13.484 10.747 -9.940 682 HG2 LYS 82 2HG LYS 82 -14.265 12.490 -7.615 683 HG3 LYS 82 1HG LYS 82 -15.164 12.416 -9.127 684 HD2 LYS 82 2HD LYS 82 -15.278 9.879 -8.711 685 HD3 LYS 82 1HD LYS 82 -14.781 10.263 -7.055 686 HE2 LYS 82 2HE LYS 82 -17.245 10.078 -7.340 687 HE3 LYS 82 1HE LYS 82 -16.720 11.646 -6.733 688 HZ1 LYS 82 3HZ LYS 82 -18.435 11.753 -8.500 689 HZ2 LYS 82 1HZ LYS 82 -17.321 11.095 -9.584 690 HZ3 LYS 82 2HZ LYS 82 -17.022 12.603 -8.883 691 H LYS 83 H LYS 83 -10.204 12.245 -9.411 692 HA LYS 83 HA LYS 83 -9.567 10.487 -11.527 693 HB2 LYS 83 2HB LYS 83 -7.719 12.567 -10.343 694 HB3 LYS 83 1HB LYS 83 -7.712 11.948 -11.986 695 HG2 LYS 83 2HG LYS 83 -9.720 13.785 -10.704 696 HG3 LYS 83 1HG LYS 83 -8.652 14.117 -12.067 697 HD2 LYS 83 2HD LYS 83 -9.895 12.310 -13.328 698 HD3 LYS 83 1HD LYS 83 -11.052 12.295 -11.995 699 HE2 LYS 83 2HE LYS 83 -10.396 14.638 -13.788 700 HE3 LYS 83 1HE LYS 83 -11.883 13.694 -13.795 701 HZ1 LYS 83 3HZ LYS 83 -10.918 15.410 -11.574 702 HZ2 LYS 83 1HZ LYS 83 -12.332 14.483 -11.540 703 HZ3 LYS 83 2HZ LYS 83 -12.187 15.767 -12.627 704 H ASP 84 H ASP 84 -8.576 10.512 -8.217 705 HA ASP 84 HA ASP 84 -6.172 8.940 -8.752 706 HB2 ASP 84 2HB ASP 84 -7.166 10.098 -6.140 707 HB3 ASP 84 1HB ASP 84 -5.598 9.334 -6.417 708 H ALA 85 H ALA 85 -9.384 8.208 -8.225 709 HA ALA 85 HA ALA 85 -8.974 5.993 -6.404 710 HB1 ALA 85 3HB ALA 85 -11.325 5.445 -6.874 711 HB2 ALA 85 1HB ALA 85 -11.356 6.667 -8.146 712 HB3 ALA 85 2HB ALA 85 -11.130 7.148 -6.465 713 H GLY 86 H GLY 86 -8.839 3.825 -6.900 714 HA2 GLY 86 2HA GLY 86 -9.185 2.597 -9.382 715 HA3 GLY 86 1HA GLY 86 -7.514 3.145 -9.320 716 H TRP 87 H TRP 87 -7.422 0.631 -9.569 717 HA TRP 87 HA TRP 87 -7.361 -0.651 -6.936 718 HB2 TRP 87 2HB TRP 87 -6.918 -1.683 -9.737 719 HB3 TRP 87 1HB TRP 87 -6.493 -2.640 -8.323 720 HD1 TRP 87 HD1 TRP 87 -9.601 -1.053 -9.984 721 HE1 TRP 87 HE1 TRP 87 -11.668 -2.397 -9.254 722 HE3 TRP 87 HE3 TRP 87 -7.372 -4.215 -6.643 723 HZ2 TRP 87 HZ2 TRP 87 -12.273 -4.526 -7.498 724 HZ3 TRP 87 HZ3 TRP 87 -8.765 -5.876 -5.480 725 HH2 TRP 87 HH2 TRP 87 -11.163 -6.028 -5.900 726 H TYR 88 H TYR 88 -5.624 -0.558 -5.703 727 HA TYR 88 HA TYR 88 -3.006 0.136 -6.806 728 HB2 TYR 88 2HB TYR 88 -4.051 -0.057 -3.971 729 HB3 TYR 88 1HB TYR 88 -2.365 0.268 -4.356 730 HD1 TYR 88 HD1 TYR 88 -5.801 1.580 -5.051 731 HD2 TYR 88 HD2 TYR 88 -1.663 2.475 -4.575 732 HE1 TYR 88 HE1 TYR 88 -6.304 3.981 -5.204 733 HE2 TYR 88 HE2 TYR 88 -2.162 4.876 -4.727 734 HH TYR 88 HH TYR 88 -5.345 6.110 -4.587 735 H THR 89 H THR 89 -1.663 -1.438 -7.371 736 HA THR 89 HA THR 89 -1.904 -4.105 -6.164 737 HB THR 89 HB THR 89 -0.363 -3.214 -8.619 738 HG1 THR 89 HG1 THR 89 -2.129 -3.676 -9.704 739 HG21 THR 89 3HG2 THR 89 0.671 -5.178 -7.603 740 HG22 THR 89 1HG2 THR 89 -0.157 -5.630 -9.094 741 HG23 THR 89 2HG2 THR 89 -0.893 -5.989 -7.532 742 H VAL 90 H VAL 90 -0.627 -4.480 -4.462 743 HA VAL 90 HA VAL 90 1.945 -3.079 -4.228 744 HB VAL 90 HB VAL 90 0.533 -2.798 -2.298 745 HG11 VAL 90 1HG1 VAL 90 0.451 -5.812 -2.067 746 HG12 VAL 90 2HG1 VAL 90 -0.888 -4.772 -2.554 747 HG13 VAL 90 3HG1 VAL 90 -0.240 -4.666 -0.917 748 HG21 VAL 90 3HG2 VAL 90 2.777 -4.732 -1.676 749 HG22 VAL 90 1HG2 VAL 90 2.002 -3.647 -0.520 750 HG23 VAL 90 2HG2 VAL 90 2.929 -2.984 -1.864 751 H SER 91 H SER 91 3.732 -4.106 -4.795 752 HA SER 91 HA SER 91 3.863 -7.049 -4.599 753 HB2 SER 91 2HB SER 91 5.491 -5.132 -6.298 754 HB3 SER 91 1HB SER 91 5.775 -6.869 -6.204 755 HG SER 91 HG SER 91 3.757 -7.228 -7.113 756 H ALA 92 H ALA 92 4.798 -7.672 -2.749 757 HA ALA 92 HA ALA 92 7.024 -6.118 -1.619 758 HB1 ALA 92 3HB ALA 92 5.202 -6.701 -0.093 759 HB2 ALA 92 1HB ALA 92 6.704 -7.489 0.391 760 HB3 ALA 92 2HB ALA 92 5.452 -8.413 -0.438 761 H VAL 93 H VAL 93 9.031 -6.705 -2.210 762 HA VAL 93 HA VAL 93 9.494 -9.526 -2.964 763 HB VAL 93 HB VAL 93 9.664 -8.065 -4.894 764 HG11 VAL 93 1HG1 VAL 93 11.880 -6.621 -3.433 765 HG12 VAL 93 2HG1 VAL 93 10.260 -5.985 -3.718 766 HG13 VAL 93 3HG1 VAL 93 11.330 -6.312 -5.082 767 HG21 VAL 93 3HG2 VAL 93 11.131 -10.029 -4.788 768 HG22 VAL 93 1HG2 VAL 93 12.387 -9.059 -4.014 769 HG23 VAL 93 2HG2 VAL 93 11.898 -8.711 -5.672 770 H ASN 94 H ASN 94 10.650 -10.610 -1.571 771 HA ASN 94 HA ASN 94 12.947 -9.331 -0.226 772 HB2 ASN 94 2HB ASN 94 11.320 -10.234 1.353 773 HB3 ASN 94 1HB ASN 94 11.343 -11.793 0.537 774 HD21 ASN 94 1HD2 ASN 94 13.122 -9.626 2.592 775 HD22 ASN 94 2HD2 ASN 94 14.249 -10.792 3.164 776 H GLU 95 H GLU 95 14.950 -10.542 -0.161 777 HA GLU 95 HA GLU 95 15.751 -11.685 -2.570 778 HB2 GLU 95 2HB GLU 95 17.769 -12.448 -1.328 779 HB3 GLU 95 1HB GLU 95 17.366 -10.761 -1.046 780 HG2 GLU 95 2HG GLU 95 16.310 -11.405 1.095 781 HG3 GLU 95 1HG GLU 95 16.819 -13.070 0.815 782 H ALA 96 H ALA 96 14.446 -13.253 0.286 783 HA ALA 96 HA ALA 96 14.919 -15.942 -0.516 784 HB1 ALA 96 3HB ALA 96 12.895 -14.812 1.420 785 HB2 ALA 96 1HB ALA 96 14.528 -15.353 1.808 786 HB3 ALA 96 2HB ALA 96 13.322 -16.520 1.263 787 H GLY 97 H GLY 97 12.262 -13.676 -1.079 788 HA2 GLY 97 2HA GLY 97 11.203 -15.085 -3.279 789 HA3 GLY 97 1HA GLY 97 10.271 -15.512 -1.852 790 H VAL 98 H VAL 98 8.889 -14.348 -3.831 791 HA VAL 98 HA VAL 98 8.437 -11.590 -2.878 792 HB VAL 98 HB VAL 98 9.677 -11.380 -4.952 793 HG11 VAL 98 1HG1 VAL 98 9.214 -13.551 -5.938 794 HG12 VAL 98 2HG1 VAL 98 8.815 -12.266 -7.079 795 HG13 VAL 98 3HG1 VAL 98 7.528 -13.095 -6.202 796 HG21 VAL 98 3HG2 VAL 98 8.070 -10.071 -6.295 797 HG22 VAL 98 1HG2 VAL 98 7.950 -9.715 -4.573 798 HG23 VAL 98 2HG2 VAL 98 6.746 -10.746 -5.345 799 H THR 99 H THR 99 6.312 -10.859 -2.895 800 HA THR 99 HA THR 99 4.192 -12.623 -3.897 801 HB THR 99 HB THR 99 4.402 -13.296 -1.567 802 HG1 THR 99 HG1 THR 99 2.191 -12.186 -0.917 803 HG21 THR 99 3HG2 THR 99 3.979 -10.376 -0.889 804 HG22 THR 99 1HG2 THR 99 5.472 -11.289 -0.666 805 HG23 THR 99 2HG2 THR 99 4.037 -11.705 0.270 806 H THR 100 H THR 100 2.285 -11.552 -4.478 807 HA THR 100 HA THR 100 2.335 -8.602 -4.301 808 HB THR 100 HB THR 100 1.779 -10.210 -6.809 809 HG1 THR 100 HG1 THR 100 3.895 -9.962 -6.913 810 HG21 THR 100 3HG2 THR 100 0.271 -8.308 -6.726 811 HG22 THR 100 1HG2 THR 100 1.536 -8.010 -7.918 812 HG23 THR 100 2HG2 THR 100 1.610 -7.227 -6.340 813 H CYS 101 H CYS 101 0.424 -7.641 -3.853 814 HA CYS 101 HA CYS 101 -2.060 -9.239 -4.040 815 HB2 CYS 101 2HB CYS 101 -1.393 -9.228 -1.703 816 HB3 CYS 101 1HB CYS 101 -1.202 -7.479 -1.727 817 HG CYS 101 HG CYS 101 -3.946 -6.975 -2.105 818 H ASN 102 H ASN 102 -4.025 -8.008 -4.245 819 HA ASN 102 HA ASN 102 -3.601 -5.302 -5.367 820 HB2 ASN 102 2HB ASN 102 -5.767 -7.321 -6.020 821 HB3 ASN 102 1HB ASN 102 -5.621 -5.714 -6.730 822 HD21 ASN 102 1HD2 ASN 102 -4.014 -5.335 -8.254 823 HD22 ASN 102 2HD2 ASN 102 -3.128 -6.615 -8.996 824 H THR 103 H THR 103 -5.068 -3.651 -4.866 825 HA THR 103 HA THR 103 -7.151 -4.156 -2.860 826 HB THR 103 HB THR 103 -5.006 -2.043 -2.475 827 HG1 THR 103 HG1 THR 103 -5.295 -4.664 -1.589 828 HG21 THR 103 3HG2 THR 103 -7.212 -1.375 -1.587 829 HG22 THR 103 1HG2 THR 103 -6.052 -1.676 -0.292 830 HG23 THR 103 2HG2 THR 103 -7.288 -2.877 -0.666 831 H ARG 104 H ARG 104 -8.826 -2.580 -2.845 832 HA ARG 104 HA ARG 104 -8.757 -0.773 -5.186 833 HB2 ARG 104 2HB ARG 104 -10.455 -2.497 -5.362 834 HB3 ARG 104 1HB ARG 104 -11.120 -2.052 -3.794 835 HG2 ARG 104 2HG ARG 104 -11.805 0.108 -4.658 836 HG3 ARG 104 1HG ARG 104 -11.063 -0.254 -6.217 837 HD2 ARG 104 2HD ARG 104 -12.637 -2.034 -6.613 838 HD3 ARG 104 1HD ARG 104 -13.304 -1.861 -4.988 839 HE ARG 104 HE ARG 104 -13.878 0.508 -5.826 840 HH11 ARG 104 1HH1 ARG 104 -13.949 -2.353 -7.745 841 HH12 ARG 104 2HH1 ARG 104 -15.156 -1.736 -8.815 842 HH21 ARG 104 1HH2 ARG 104 -15.416 1.286 -7.194 843 HH22 ARG 104 2HH2 ARG 104 -15.983 0.301 -8.501 844 H LEU 105 H LEU 105 -9.278 1.368 -5.016 845 HA LEU 105 HA LEU 105 -10.120 2.395 -2.373 846 HB2 LEU 105 2HB LEU 105 -7.760 2.944 -2.791 847 HB3 LEU 105 1HB LEU 105 -8.194 3.692 -4.317 848 HG LEU 105 HG LEU 105 -9.515 5.396 -3.071 849 HD11 LEU 105 1HD1 LEU 105 -9.204 5.613 -0.647 850 HD12 LEU 105 2HD1 LEU 105 -8.329 4.081 -0.626 851 HD13 LEU 105 3HD1 LEU 105 -10.035 4.119 -1.075 852 HD21 LEU 105 3HD2 LEU 105 -6.615 5.181 -2.251 853 HD22 LEU 105 1HD2 LEU 105 -7.592 6.649 -2.220 854 HD23 LEU 105 2HD2 LEU 105 -7.220 5.869 -3.758 855 H ASP 106 H ASP 106 -12.024 3.433 -2.448 856 HA ASP 106 HA ASP 106 -13.000 4.424 -5.055 857 HB2 ASP 106 2HB ASP 106 -14.500 3.468 -2.603 858 HB3 ASP 106 1HB ASP 106 -15.283 4.253 -3.970 859 H VAL 107 H VAL 107 -13.341 6.555 -5.325 860 HA VAL 107 HA VAL 107 -13.450 8.281 -2.928 861 HB VAL 107 HB VAL 107 -12.525 9.056 -5.711 862 HG11 VAL 107 1HG1 VAL 107 -12.494 10.629 -3.127 863 HG12 VAL 107 2HG1 VAL 107 -13.563 10.914 -4.500 864 HG13 VAL 107 3HG1 VAL 107 -11.827 11.160 -4.671 865 HG21 VAL 107 3HG2 VAL 107 -10.921 8.589 -3.188 866 HG22 VAL 107 1HG2 VAL 107 -10.284 9.213 -4.711 867 HG23 VAL 107 2HG2 VAL 107 -10.920 7.570 -4.629 868 H THR 108 H THR 108 -15.000 9.899 -2.819 869 HA THR 108 HA THR 108 -17.162 9.805 -4.840 870 HB THR 108 HB THR 108 -17.491 10.043 -1.841 871 HG1 THR 108 HG1 THR 108 -17.116 7.912 -2.315 872 HG21 THR 108 3HG2 THR 108 -19.905 9.909 -2.271 873 HG22 THR 108 1HG2 THR 108 -19.600 9.899 -4.008 874 HG23 THR 108 2HG2 THR 108 -19.205 11.327 -3.049 875 H ALA 109 H ALA 109 -18.302 11.761 -5.203 876 HA ALA 109 HA ALA 109 -16.648 14.100 -4.961 877 HB1 ALA 109 3HB ALA 109 -18.361 15.202 -6.294 878 HB2 ALA 109 1HB ALA 109 -19.444 13.827 -6.070 879 HB3 ALA 109 2HB ALA 109 -17.951 13.634 -6.988 880 H ARG 110 H ARG 110 -16.720 15.641 -3.438 881 HA ARG 110 HA ARG 110 -18.445 15.534 -1.205 882 HB2 ARG 110 2HB ARG 110 -16.648 17.727 -2.252 883 HB3 ARG 110 1HB ARG 110 -17.591 17.911 -0.782 884 HG2 ARG 110 2HG ARG 110 -16.423 15.938 0.164 885 HG3 ARG 110 1HG ARG 110 -15.415 15.883 -1.286 886 HD2 ARG 110 2HD ARG 110 -14.533 18.084 -0.812 887 HD3 ARG 110 1HD ARG 110 -15.636 18.275 0.551 888 HE ARG 110 HE ARG 110 -14.199 16.046 1.175 889 HH11 ARG 110 1HH1 ARG 110 -13.304 19.246 0.259 890 HH12 ARG 110 2HH1 ARG 110 -11.881 19.243 1.239 891 HH21 ARG 110 1HH2 ARG 110 -12.382 16.077 2.431 892 HH22 ARG 110 2HH2 ARG 110 -11.373 17.484 2.454 893 HA PRO 111 HA PRO 111 -22.041 17.639 -2.892 894 HB2 PRO 111 2HB PRO 111 -22.864 18.165 -0.128 895 HB3 PRO 111 1HB PRO 111 -23.616 17.118 -1.331 896 HG2 PRO 111 2HG PRO 111 -22.341 16.163 0.866 897 HG3 PRO 111 1HG PRO 111 -22.432 15.271 -0.665 898 HD2 PRO 111 2HD PRO 111 -20.166 16.862 0.478 899 HD3 PRO 111 1HD PRO 111 -20.132 15.327 -0.417 900 H ASN 112 H ASN 112 -19.816 18.946 -0.598 901 HA ASN 112 HA ASN 112 -20.348 21.670 -1.541 902 HB2 ASN 112 2HB ASN 112 -20.089 22.502 0.808 903 HB3 ASN 112 1HB ASN 112 -21.539 21.532 0.559 904 HD21 ASN 112 1HD2 ASN 112 -20.009 22.100 3.003 905 HD22 ASN 112 2HD2 ASN 112 -19.604 20.554 3.656 906 H GLN 113 H GLN 113 -18.511 22.795 -1.987 907 HA GLN 113 HA GLN 113 -15.945 21.612 -1.128 908 HB2 GLN 113 2HB GLN 113 -14.923 22.743 -3.071 909 HB3 GLN 113 1HB GLN 113 -16.182 21.610 -3.540 910 HG2 GLN 113 2HG GLN 113 -17.745 23.526 -3.784 911 HG3 GLN 113 1HG GLN 113 -16.402 24.616 -3.443 912 HE21 GLN 113 1HE2 GLN 113 -18.044 24.408 -5.830 913 HE22 GLN 113 2HE2 GLN 113 -16.968 24.076 -7.137 914 H THR 114 H THR 114 -14.994 22.633 0.485 915 HA THR 114 HA THR 114 -15.585 25.456 1.016 916 HB THR 114 HB THR 114 -14.528 25.033 3.233 917 HG1 THR 114 HG1 THR 114 -13.467 23.232 3.567 918 HG21 THR 114 3HG2 THR 114 -16.312 23.599 4.129 919 HG22 THR 114 1HG2 THR 114 -16.719 23.081 2.492 920 HG23 THR 114 2HG2 THR 114 -16.950 24.764 2.969 921 H LEU 115 H LEU 115 -14.052 27.039 1.108 922 HA LEU 115 HA LEU 115 -12.173 28.187 0.574 923 HB2 LEU 115 2HB LEU 115 -10.802 25.715 1.645 924 HB3 LEU 115 1HB LEU 115 -10.034 27.271 1.394 925 HG LEU 115 HG LEU 115 -12.243 26.675 3.372 926 HD11 LEU 115 1HD1 LEU 115 -10.538 27.126 5.069 927 HD12 LEU 115 2HD1 LEU 115 -9.325 27.325 3.803 928 HD13 LEU 115 3HD1 LEU 115 -10.093 25.756 4.051 929 HD21 LEU 115 3HD2 LEU 115 -11.896 28.974 4.165 930 HD22 LEU 115 1HD2 LEU 115 -12.484 28.930 2.504 931 HD23 LEU 115 2HD2 LEU 115 -10.783 29.261 2.827 932 HA PRO 116 HA PRO 116 -11.203 26.069 -3.389 933 HB2 PRO 116 2HB PRO 116 -12.651 27.786 -5.008 934 HB3 PRO 116 1HB PRO 116 -13.259 26.269 -4.344 935 HG2 PRO 116 2HG PRO 116 -14.055 28.967 -3.686 936 HG3 PRO 116 1HG PRO 116 -14.743 27.443 -3.107 937 HD2 PRO 116 2HD PRO 116 -12.848 29.258 -1.778 938 HD3 PRO 116 1HD PRO 116 -13.857 27.974 -1.080 Start of MODEL 9 1 H1 MET 1 1H MET 1 29.917 -32.923 -3.932 2 H2 MET 1 2H MET 1 28.739 -31.825 -4.450 3 H3 MET 1 3H MET 1 30.189 -31.258 -3.793 4 HA MET 1 HA MET 1 31.441 -32.098 -5.639 5 HB2 MET 1 2HB MET 1 30.008 -34.080 -6.046 6 HB3 MET 1 1HB MET 1 28.756 -33.032 -6.699 7 HG2 MET 1 2HG MET 1 30.348 -32.328 -8.471 8 HG3 MET 1 1HG MET 1 31.497 -33.513 -7.856 9 HE1 MET 1 3HE MET 1 31.014 -36.133 -7.816 10 HE2 MET 1 1HE MET 1 29.568 -36.876 -8.499 11 HE3 MET 1 2HE MET 1 29.449 -35.903 -7.035 12 H GLY 2 H GLY 2 31.768 -30.839 -7.554 13 HA2 GLY 2 2HA GLY 2 31.303 -29.233 -9.159 14 HA3 GLY 2 1HA GLY 2 29.682 -29.072 -8.507 15 H HIS 3 H HIS 3 29.595 -27.958 -6.302 16 HA HIS 3 HA HIS 3 30.697 -25.357 -6.616 17 HB2 HIS 3 2HB HIS 3 28.523 -25.704 -5.554 18 HB3 HIS 3 1HB HIS 3 29.276 -26.612 -4.250 19 HD1 HIS 3 HD1 HIS 3 28.328 -24.956 -2.511 20 HD2 HIS 3 HD2 HIS 3 30.897 -23.206 -5.270 21 HE1 HIS 3 HE1 HIS 3 28.868 -22.687 -1.584 22 HE2 HIS 3 HE2 HIS 3 30.521 -21.700 -3.200 23 H HIS 4 H HIS 4 32.897 -25.222 -6.503 24 HA HIS 4 HA HIS 4 34.342 -26.377 -4.263 25 HB2 HIS 4 2HB HIS 4 36.323 -25.164 -5.285 26 HB3 HIS 4 1HB HIS 4 35.567 -26.388 -6.294 27 HD1 HIS 4 HD1 HIS 4 34.880 -22.641 -5.856 28 HD2 HIS 4 HD2 HIS 4 35.576 -25.480 -8.813 29 HE1 HIS 4 HE1 HIS 4 34.721 -21.405 -8.031 30 HE2 HIS 4 HE2 HIS 4 34.991 -23.170 -9.801 31 H HIS 5 H HIS 5 35.285 -25.271 -2.573 32 HA HIS 5 HA HIS 5 35.366 -23.790 -0.871 33 HB2 HIS 5 2HB HIS 5 36.460 -22.332 -2.554 34 HB3 HIS 5 1HB HIS 5 34.886 -21.669 -2.981 35 HD1 HIS 5 HD1 HIS 5 34.154 -19.667 -1.672 36 HD2 HIS 5 HD2 HIS 5 37.192 -21.767 0.230 37 HE1 HIS 5 HE1 HIS 5 34.778 -18.284 0.323 38 HE2 HIS 5 HE2 HIS 5 36.746 -19.476 1.341 39 H HIS 6 H HIS 6 33.568 -24.482 0.224 40 HA HIS 6 HA HIS 6 30.918 -23.645 -0.510 41 HB2 HIS 6 2HB HIS 6 30.263 -24.799 1.649 42 HB3 HIS 6 1HB HIS 6 31.063 -25.804 0.448 43 HD1 HIS 6 HD1 HIS 6 33.410 -26.695 1.016 44 HD2 HIS 6 HD2 HIS 6 31.701 -24.416 4.041 45 HE1 HIS 6 HE1 HIS 6 34.822 -27.105 3.044 46 HE2 HIS 6 HE2 HIS 6 33.635 -25.900 4.901 47 H HIS 7 H HIS 7 30.990 -21.374 -0.435 48 HA HIS 7 HA HIS 7 31.136 -20.178 2.250 49 HB2 HIS 7 2HB HIS 7 32.452 -18.985 0.641 50 HB3 HIS 7 1HB HIS 7 31.133 -18.967 -0.522 51 HD1 HIS 7 HD1 HIS 7 32.212 -17.350 2.713 52 HD2 HIS 7 HD2 HIS 7 29.373 -16.849 -0.277 53 HE1 HIS 7 HE1 HIS 7 31.138 -15.131 3.172 54 HE2 HIS 7 HE2 HIS 7 29.343 -14.903 1.422 55 H HIS 8 H HIS 8 29.243 -20.279 3.320 56 HA HIS 8 HA HIS 8 26.921 -19.038 2.053 57 HB2 HIS 8 2HB HIS 8 26.625 -21.485 1.718 58 HB3 HIS 8 1HB HIS 8 26.687 -21.707 3.465 59 HD1 HIS 8 HD1 HIS 8 24.604 -19.764 0.937 60 HD2 HIS 8 HD2 HIS 8 24.233 -21.611 4.639 61 HE1 HIS 8 HE1 HIS 8 22.174 -19.593 1.531 62 HE2 HIS 8 HE2 HIS 8 21.944 -20.914 3.656 63 H SER 9 H SER 9 26.222 -17.498 3.332 64 HA SER 9 HA SER 9 27.194 -17.110 5.955 65 HB2 SER 9 2HB SER 9 26.497 -15.266 4.437 66 HB3 SER 9 1HB SER 9 24.817 -15.756 4.652 67 HG SER 9 HG SER 9 25.274 -14.109 6.096 68 H HIS 10 H HIS 10 26.507 -17.859 7.849 69 HA HIS 10 HA HIS 10 24.208 -19.587 8.010 70 HB2 HIS 10 2HB HIS 10 26.108 -18.625 10.173 71 HB3 HIS 10 1HB HIS 10 24.889 -19.880 10.381 72 HD1 HIS 10 HD1 HIS 10 25.692 -22.199 9.992 73 HD2 HIS 10 HD2 HIS 10 28.089 -19.400 8.075 74 HE1 HIS 10 HE1 HIS 10 27.585 -23.508 8.989 75 HE2 HIS 10 HE2 HIS 10 28.966 -21.811 7.753 76 H GLU 11 H GLU 11 22.361 -18.374 7.704 77 HA GLU 11 HA GLU 11 21.711 -16.341 9.753 78 HB2 GLU 11 2HB GLU 11 20.970 -16.109 6.824 79 HB3 GLU 11 1HB GLU 11 20.719 -14.905 8.082 80 HG2 GLU 11 2HG GLU 11 23.069 -14.489 8.242 81 HG3 GLU 11 1HG GLU 11 23.430 -15.832 7.158 82 H HIS 12 H HIS 12 19.391 -16.019 10.092 83 HA HIS 12 HA HIS 12 17.686 -18.217 9.076 84 HB2 HIS 12 2HB HIS 12 17.133 -16.301 11.366 85 HB3 HIS 12 1HB HIS 12 16.157 -17.694 10.910 86 HD1 HIS 12 HD1 HIS 12 18.824 -16.700 13.143 87 HD2 HIS 12 HD2 HIS 12 17.668 -20.228 11.271 88 HE1 HIS 12 HE1 HIS 12 19.948 -18.544 14.424 89 HE2 HIS 12 HE2 HIS 12 19.306 -20.659 13.221 90 H LYS 13 H LYS 13 16.713 -17.579 7.207 91 HA LYS 13 HA LYS 13 15.625 -14.840 7.107 92 HB2 LYS 13 2HB LYS 13 16.887 -16.442 4.881 93 HB3 LYS 13 1HB LYS 13 15.983 -14.950 4.617 94 HG2 LYS 13 2HG LYS 13 17.537 -13.752 6.092 95 HG3 LYS 13 1HG LYS 13 18.452 -15.239 6.332 96 HD2 LYS 13 2HD LYS 13 18.045 -13.868 3.671 97 HD3 LYS 13 1HD LYS 13 19.473 -13.688 4.688 98 HE2 LYS 13 2HE LYS 13 19.689 -16.232 4.535 99 HE3 LYS 13 1HE LYS 13 18.507 -16.138 3.228 100 HZ1 LYS 13 3HZ LYS 13 20.652 -16.081 2.257 101 HZ2 LYS 13 1HZ LYS 13 21.193 -14.884 3.328 102 HZ3 LYS 13 2HZ LYS 13 20.037 -14.507 2.149 103 H ARG 14 H ARG 14 13.665 -14.462 6.094 104 HA ARG 14 HA ARG 14 11.907 -16.826 5.835 105 HB2 ARG 14 2HB ARG 14 11.790 -15.817 8.110 106 HB3 ARG 14 1HB ARG 14 11.336 -14.285 7.390 107 HG2 ARG 14 2HG ARG 14 9.357 -15.224 8.216 108 HG3 ARG 14 1HG ARG 14 9.297 -15.463 6.471 109 HD2 ARG 14 2HD ARG 14 9.640 -17.755 6.643 110 HD3 ARG 14 1HD ARG 14 10.397 -17.624 8.233 111 HE ARG 14 HE ARG 14 8.027 -16.917 8.949 112 HH11 ARG 14 1HH1 ARG 14 8.689 -19.266 6.509 113 HH12 ARG 14 2HH1 ARG 14 7.233 -20.142 6.815 114 HH21 ARG 14 1HH2 ARG 14 6.181 -18.059 9.335 115 HH22 ARG 14 2HH2 ARG 14 5.824 -19.462 8.387 116 H ALA 15 H ALA 15 10.535 -16.732 4.111 117 HA ALA 15 HA ALA 15 10.663 -14.556 2.260 118 HB1 ALA 15 3HB ALA 15 8.821 -16.951 2.308 119 HB2 ALA 15 1HB ALA 15 10.387 -16.860 1.502 120 HB3 ALA 15 2HB ALA 15 9.048 -15.855 0.944 121 HA PRO 16 HA PRO 16 7.403 -11.942 3.725 122 HB2 PRO 16 2HB PRO 16 6.365 -10.976 1.378 123 HB3 PRO 16 1HB PRO 16 7.903 -10.443 2.065 124 HG2 PRO 16 2HG PRO 16 7.397 -12.458 -0.098 125 HG3 PRO 16 1HG PRO 16 8.616 -11.170 -0.032 126 HD2 PRO 16 2HD PRO 16 9.238 -13.730 0.525 127 HD3 PRO 16 1HD PRO 16 10.002 -12.376 1.384 128 H MET 17 H MET 17 5.498 -12.473 4.565 129 HA MET 17 HA MET 17 3.566 -14.037 2.968 130 HB2 MET 17 2HB MET 17 4.511 -15.600 4.485 131 HB3 MET 17 1HB MET 17 4.465 -14.455 5.817 132 HG2 MET 17 2HG MET 17 2.779 -16.219 6.023 133 HG3 MET 17 1HG MET 17 2.066 -14.610 5.932 134 HE1 MET 17 3HE MET 17 -0.594 -16.876 4.161 135 HE2 MET 17 1HE MET 17 -0.312 -15.691 5.438 136 HE3 MET 17 2HE MET 17 0.414 -17.295 5.545 137 H PHE 18 H PHE 18 1.620 -13.096 2.784 138 HA PHE 18 HA PHE 18 0.887 -10.790 4.348 139 HB2 PHE 18 2HB PHE 18 -0.555 -12.372 2.213 140 HB3 PHE 18 1HB PHE 18 -1.321 -11.037 3.064 141 HD1 PHE 18 HD1 PHE 18 -0.492 -8.738 2.775 142 HD2 PHE 18 HD2 PHE 18 1.084 -11.980 0.504 143 HE1 PHE 18 HE1 PHE 18 0.467 -7.142 1.164 144 HE2 PHE 18 HE2 PHE 18 2.047 -10.389 -1.106 145 HZ PHE 18 HZ PHE 18 1.737 -7.967 -0.778 146 H ILE 19 H ILE 19 0.340 -11.116 6.433 147 HA ILE 19 HA ILE 19 -1.064 -13.488 7.316 148 HB ILE 19 HB ILE 19 -0.475 -11.009 8.948 149 HG12 ILE 19 2HG1 ILE 19 1.289 -13.453 8.570 150 HG13 ILE 19 1HG1 ILE 19 1.605 -11.861 7.884 151 HG21 ILE 19 1HG2 ILE 19 -0.918 -13.891 9.751 152 HG22 ILE 19 2HG2 ILE 19 -2.067 -12.567 9.953 153 HG23 ILE 19 3HG2 ILE 19 -0.547 -12.561 10.847 154 HD11 ILE 19 3HD1 ILE 19 1.781 -10.941 10.156 155 HD12 ILE 19 1HD1 ILE 19 2.956 -12.222 9.852 156 HD13 ILE 19 2HD1 ILE 19 1.517 -12.557 10.815 157 H TYR 20 H TYR 20 -1.847 -10.078 6.794 158 HA TYR 20 HA TYR 20 -4.714 -10.719 7.062 159 HB2 TYR 20 2HB TYR 20 -3.482 -8.133 8.062 160 HB3 TYR 20 1HB TYR 20 -5.167 -8.625 8.197 161 HD1 TYR 20 HD1 TYR 20 -5.780 -10.498 9.772 162 HD2 TYR 20 HD2 TYR 20 -1.867 -8.841 9.638 163 HE1 TYR 20 HE1 TYR 20 -5.286 -11.496 11.969 164 HE2 TYR 20 HE2 TYR 20 -1.359 -9.829 11.829 165 HH TYR 20 HH TYR 20 -3.384 -12.171 13.306 166 H LYS 21 H LYS 21 -6.111 -9.442 5.756 167 HA LYS 21 HA LYS 21 -4.824 -8.607 3.275 168 HB2 LYS 21 2HB LYS 21 -7.034 -8.758 2.295 169 HB3 LYS 21 1HB LYS 21 -6.724 -10.201 3.254 170 HG2 LYS 21 2HG LYS 21 -8.059 -9.211 5.101 171 HG3 LYS 21 1HG LYS 21 -8.428 -7.839 4.055 172 HD2 LYS 21 2HD LYS 21 -10.279 -9.394 4.019 173 HD3 LYS 21 1HD LYS 21 -9.486 -9.403 2.441 174 HE2 LYS 21 2HE LYS 21 -10.060 -11.674 3.217 175 HE3 LYS 21 1HE LYS 21 -8.324 -11.460 3.009 176 HZ1 LYS 21 3HZ LYS 21 -8.989 -12.641 5.070 177 HZ2 LYS 21 1HZ LYS 21 -9.700 -11.209 5.626 178 HZ3 LYS 21 2HZ LYS 21 -8.031 -11.275 5.340 179 HA PRO 22 HA PRO 22 -5.737 -4.242 3.994 180 HB2 PRO 22 2HB PRO 22 -5.163 -3.291 1.545 181 HB3 PRO 22 1HB PRO 22 -3.898 -3.880 2.627 182 HG2 PRO 22 2HG PRO 22 -5.196 -5.262 0.306 183 HG3 PRO 22 1HG PRO 22 -3.481 -5.211 0.761 184 HD2 PRO 22 2HD PRO 22 -5.171 -7.310 1.337 185 HD3 PRO 22 1HD PRO 22 -3.715 -6.920 2.275 186 H GLN 23 H GLN 23 -7.707 -3.290 4.054 187 HA GLN 23 HA GLN 23 -9.809 -4.339 2.306 188 HB2 GLN 23 2HB GLN 23 -11.357 -3.172 3.892 189 HB3 GLN 23 1HB GLN 23 -10.344 -4.399 4.640 190 HG2 GLN 23 2HG GLN 23 -8.886 -2.709 5.556 191 HG3 GLN 23 1HG GLN 23 -9.762 -1.441 4.702 192 HE21 GLN 23 1HE2 GLN 23 -9.275 -1.827 7.573 193 HE22 GLN 23 2HE2 GLN 23 -10.836 -1.839 8.309 194 H SER 24 H SER 24 -10.957 -3.166 0.850 195 HA SER 24 HA SER 24 -9.921 -0.697 -0.122 196 HB2 SER 24 2HB SER 24 -11.805 -0.739 -1.696 197 HB3 SER 24 1HB SER 24 -11.062 -2.335 -1.590 198 HG SER 24 HG SER 24 -13.573 -1.465 -0.755 199 H LYS 25 H LYS 25 -10.407 1.342 0.432 200 HA LYS 25 HA LYS 25 -12.696 1.793 2.259 201 HB2 LYS 25 2HB LYS 25 -10.106 3.357 2.101 202 HB3 LYS 25 1HB LYS 25 -11.403 3.615 3.254 203 HG2 LYS 25 2HG LYS 25 -10.023 0.962 3.152 204 HG3 LYS 25 1HG LYS 25 -9.239 2.327 3.942 205 HD2 LYS 25 2HD LYS 25 -10.365 1.192 5.664 206 HD3 LYS 25 1HD LYS 25 -11.387 2.577 5.298 207 HE2 LYS 25 2HE LYS 25 -12.885 1.169 4.009 208 HE3 LYS 25 1HE LYS 25 -11.826 -0.221 4.249 209 HZ1 LYS 25 3HZ LYS 25 -13.343 1.233 6.350 210 HZ2 LYS 25 1HZ LYS 25 -12.236 -0.006 6.658 211 HZ3 LYS 25 2HZ LYS 25 -13.645 -0.330 5.785 212 H LYS 26 H LYS 26 -14.030 3.571 1.892 213 HA LYS 26 HA LYS 26 -13.522 5.075 -0.598 214 HB2 LYS 26 2HB LYS 26 -16.003 5.354 -0.757 215 HB3 LYS 26 1HB LYS 26 -15.442 3.698 -0.930 216 HG2 LYS 26 2HG LYS 26 -16.079 3.238 1.393 217 HG3 LYS 26 1HG LYS 26 -16.655 4.898 1.556 218 HD2 LYS 26 2HD LYS 26 -18.324 4.515 -0.179 219 HD3 LYS 26 1HD LYS 26 -17.717 2.876 -0.424 220 HE2 LYS 26 2HE LYS 26 -18.336 2.312 1.889 221 HE3 LYS 26 1HE LYS 26 -18.964 3.946 2.112 222 HZ1 LYS 26 3HZ LYS 26 -20.613 3.531 0.431 223 HZ2 LYS 26 1HZ LYS 26 -20.706 2.321 1.605 224 HZ3 LYS 26 2HZ LYS 26 -19.982 2.000 0.112 225 H VAL 27 H VAL 27 -13.110 7.163 -0.365 226 HA VAL 27 HA VAL 27 -14.163 8.602 2.003 227 HB VAL 27 HB VAL 27 -12.068 9.926 2.063 228 HG11 VAL 27 1HG1 VAL 27 -10.634 8.179 3.047 229 HG12 VAL 27 2HG1 VAL 27 -11.669 6.939 2.337 230 HG13 VAL 27 3HG1 VAL 27 -12.312 8.026 3.568 231 HG21 VAL 27 3HG2 VAL 27 -10.081 9.088 0.842 232 HG22 VAL 27 1HG2 VAL 27 -11.343 9.680 -0.240 233 HG23 VAL 27 2HG2 VAL 27 -11.116 7.946 -0.014 234 H LEU 28 H LEU 28 -13.735 11.114 1.624 235 HA LEU 28 HA LEU 28 -15.044 11.751 -0.929 236 HB2 LEU 28 2HB LEU 28 -14.734 13.391 1.590 237 HB3 LEU 28 1HB LEU 28 -15.589 13.914 0.151 238 HG LEU 28 HG LEU 28 -16.373 11.553 1.870 239 HD11 LEU 28 1HD1 LEU 28 -17.590 14.309 1.681 240 HD12 LEU 28 2HD1 LEU 28 -16.694 13.654 3.053 241 HD13 LEU 28 3HD1 LEU 28 -18.245 12.950 2.597 242 HD21 LEU 28 3HD2 LEU 28 -17.032 11.274 -0.466 243 HD22 LEU 28 1HD2 LEU 28 -17.805 12.860 -0.449 244 HD23 LEU 28 2HD2 LEU 28 -18.440 11.556 0.557 245 H GLU 29 H GLU 29 -14.417 13.725 -2.090 246 HA GLU 29 HA GLU 29 -11.651 13.821 -2.638 247 HB2 GLU 29 2HB GLU 29 -13.834 15.778 -3.387 248 HB3 GLU 29 1HB GLU 29 -12.197 15.820 -4.031 249 HG2 GLU 29 2HG GLU 29 -12.599 13.463 -4.858 250 HG3 GLU 29 1HG GLU 29 -14.295 13.704 -4.439 251 H GLY 30 H GLY 30 -10.118 14.626 -1.392 252 HA2 GLY 30 2HA GLY 30 -9.044 16.638 -0.528 253 HA3 GLY 30 1HA GLY 30 -10.611 17.147 0.084 254 H ASP 31 H ASP 31 -10.893 14.115 0.807 255 HA ASP 31 HA ASP 31 -9.879 14.427 3.511 256 HB2 ASP 31 2HB ASP 31 -11.636 12.337 2.208 257 HB3 ASP 31 1HB ASP 31 -11.134 12.270 3.896 258 H SER 32 H SER 32 -9.252 12.029 4.428 259 HA SER 32 HA SER 32 -6.948 11.136 2.810 260 HB2 SER 32 2HB SER 32 -5.737 10.795 4.985 261 HB3 SER 32 1HB SER 32 -6.103 12.482 4.630 262 HG SER 32 HG SER 32 -6.580 11.851 6.818 263 H VAL 33 H VAL 33 -6.216 8.956 3.193 264 HA VAL 33 HA VAL 33 -8.183 7.151 4.426 265 HB VAL 33 HB VAL 33 -8.712 7.262 2.026 266 HG11 VAL 33 1HG1 VAL 33 -6.499 7.843 1.174 267 HG12 VAL 33 2HG1 VAL 33 -7.139 6.421 0.351 268 HG13 VAL 33 3HG1 VAL 33 -5.902 6.239 1.597 269 HG21 VAL 33 3HG2 VAL 33 -8.685 4.867 1.557 270 HG22 VAL 33 1HG2 VAL 33 -9.093 5.168 3.248 271 HG23 VAL 33 2HG2 VAL 33 -7.474 4.619 2.815 272 H LYS 34 H LYS 34 -7.360 5.067 5.004 273 HA LYS 34 HA LYS 34 -4.416 4.842 5.058 274 HB2 LYS 34 2HB LYS 34 -4.617 3.876 7.343 275 HB3 LYS 34 1HB LYS 34 -5.139 5.553 7.252 276 HG2 LYS 34 2HG LYS 34 -7.492 4.797 7.178 277 HG3 LYS 34 1HG LYS 34 -6.941 3.129 7.342 278 HD2 LYS 34 2HD LYS 34 -7.662 3.993 9.500 279 HD3 LYS 34 1HD LYS 34 -5.923 3.695 9.519 280 HE2 LYS 34 2HE LYS 34 -5.485 6.065 9.204 281 HE3 LYS 34 1HE LYS 34 -7.211 6.393 9.062 282 HZ1 LYS 34 3HZ LYS 34 -7.520 5.702 11.338 283 HZ2 LYS 34 1HZ LYS 34 -6.342 6.918 11.269 284 HZ3 LYS 34 2HZ LYS 34 -5.880 5.303 11.483 285 H LEU 35 H LEU 35 -3.743 3.067 4.048 286 HA LEU 35 HA LEU 35 -5.440 0.636 4.084 287 HB2 LEU 35 2HB LEU 35 -3.431 1.477 1.978 288 HB3 LEU 35 1HB LEU 35 -4.435 0.039 1.931 289 HG LEU 35 HG LEU 35 -5.496 2.873 1.849 290 HD11 LEU 35 1HD1 LEU 35 -5.164 0.884 -0.397 291 HD12 LEU 35 2HD1 LEU 35 -4.213 2.349 -0.163 292 HD13 LEU 35 3HD1 LEU 35 -5.937 2.466 -0.517 293 HD21 LEU 35 3HD2 LEU 35 -6.878 0.214 1.435 294 HD22 LEU 35 1HD2 LEU 35 -7.613 1.799 1.188 295 HD23 LEU 35 2HD2 LEU 35 -7.102 1.308 2.801 296 H GLU 36 H GLU 36 -4.567 -0.980 5.310 297 HA GLU 36 HA GLU 36 -1.633 -1.146 5.526 298 HB2 GLU 36 2HB GLU 36 -1.781 -1.422 7.967 299 HB3 GLU 36 1HB GLU 36 -2.361 0.153 7.445 300 HG2 GLU 36 2HG GLU 36 -4.664 -0.585 7.682 301 HG3 GLU 36 1HG GLU 36 -4.120 -2.200 8.129 302 H CYS 37 H CYS 37 -0.755 -3.139 6.010 303 HA CYS 37 HA CYS 37 -2.433 -5.387 6.744 304 HB2 CYS 37 2HB CYS 37 -1.697 -6.814 4.866 305 HB3 CYS 37 1HB CYS 37 -2.649 -5.445 4.308 306 HG CYS 37 HG CYS 37 -0.666 -5.839 2.427 307 H GLN 38 H GLN 38 -1.062 -7.392 7.103 308 HA GLN 38 HA GLN 38 1.587 -6.593 8.140 309 HB2 GLN 38 2HB GLN 38 -0.217 -8.871 8.980 310 HB3 GLN 38 1HB GLN 38 1.395 -8.600 9.617 311 HG2 GLN 38 2HG GLN 38 -0.855 -6.614 9.847 312 HG3 GLN 38 1HG GLN 38 -0.475 -7.820 11.072 313 HE21 GLN 38 1HE2 GLN 38 2.426 -7.539 10.623 314 HE22 GLN 38 2HE2 GLN 38 2.861 -6.058 11.382 315 H ILE 39 H ILE 39 3.245 -7.233 6.942 316 HA ILE 39 HA ILE 39 3.141 -9.841 5.563 317 HB ILE 39 HB ILE 39 4.913 -7.449 4.975 318 HG12 ILE 39 2HG1 ILE 39 2.579 -8.609 3.414 319 HG13 ILE 39 1HG1 ILE 39 2.570 -7.090 4.302 320 HG21 ILE 39 1HG2 ILE 39 5.635 -8.722 2.996 321 HG22 ILE 39 2HG2 ILE 39 4.685 -10.103 3.544 322 HG23 ILE 39 3HG2 ILE 39 6.060 -9.545 4.497 323 HD11 ILE 39 3HD1 ILE 39 4.224 -7.733 1.869 324 HD12 ILE 39 1HD1 ILE 39 4.304 -6.221 2.777 325 HD13 ILE 39 2HD1 ILE 39 2.816 -6.674 1.944 326 H SER 40 H SER 40 4.291 -11.415 6.533 327 HA SER 40 HA SER 40 6.384 -10.711 8.457 328 HB2 SER 40 2HB SER 40 4.741 -12.379 9.167 329 HB3 SER 40 1HB SER 40 5.131 -13.390 7.776 330 HG SER 40 HG SER 40 6.171 -13.927 9.858 331 H ALA 41 H ALA 41 8.226 -10.206 7.394 332 HA ALA 41 HA ALA 41 9.470 -12.328 5.773 333 HB1 ALA 41 3HB ALA 41 10.419 -10.656 4.258 334 HB2 ALA 41 1HB ALA 41 9.548 -9.385 5.117 335 HB3 ALA 41 2HB ALA 41 8.655 -10.620 4.232 336 H ILE 42 H ILE 42 11.729 -12.497 5.935 337 HA ILE 42 HA ILE 42 13.148 -10.588 7.659 338 HB ILE 42 HB ILE 42 13.363 -13.597 7.975 339 HG12 ILE 42 2HG1 ILE 42 12.398 -11.467 9.911 340 HG13 ILE 42 1HG1 ILE 42 11.378 -12.639 9.082 341 HG21 ILE 42 1HG2 ILE 42 14.985 -13.078 9.779 342 HG22 ILE 42 2HG2 ILE 42 14.931 -11.380 9.304 343 HG23 ILE 42 3HG2 ILE 42 15.553 -12.590 8.183 344 HD11 ILE 42 3HD1 ILE 42 13.499 -13.254 11.128 345 HD12 ILE 42 1HD1 ILE 42 12.529 -14.451 10.270 346 HD13 ILE 42 2HD1 ILE 42 11.752 -13.310 11.367 347 HA PRO 43 HA PRO 43 14.512 -9.277 7.475 348 HB2 PRO 43 2HB PRO 43 15.771 -7.433 5.987 349 HB3 PRO 43 1HB PRO 43 16.679 -8.646 6.898 350 HG2 PRO 43 2HG PRO 43 15.965 -8.623 3.980 351 HG3 PRO 43 1HG PRO 43 17.523 -8.991 4.744 352 HD2 PRO 43 2HD PRO 43 15.757 -10.914 3.921 353 HD3 PRO 43 1HD PRO 43 16.903 -11.147 5.258 354 HA PRO 44 HA PRO 44 10.975 -7.053 5.781 355 HB2 PRO 44 2HB PRO 44 12.662 -4.573 5.911 356 HB3 PRO 44 1HB PRO 44 11.003 -4.834 6.473 357 HG2 PRO 44 2HG PRO 44 13.009 -4.803 8.215 358 HG3 PRO 44 1HG PRO 44 11.699 -5.985 8.382 359 HD2 PRO 44 2HD PRO 44 14.493 -6.379 7.402 360 HD3 PRO 44 1HD PRO 44 13.456 -7.480 8.334 361 HA PRO 45 HA PRO 45 12.224 -6.976 1.492 362 HB2 PRO 45 2HB PRO 45 9.805 -7.171 0.374 363 HB3 PRO 45 1HB PRO 45 10.460 -8.487 1.358 364 HG2 PRO 45 2HG PRO 45 8.451 -6.391 2.095 365 HG3 PRO 45 1HG PRO 45 8.455 -8.122 2.480 366 HD2 PRO 45 2HD PRO 45 9.304 -6.108 4.196 367 HD3 PRO 45 1HD PRO 45 9.767 -7.814 4.325 368 H LYS 46 H LYS 46 11.790 -5.791 -0.556 369 HA LYS 46 HA LYS 46 11.346 -2.939 -0.144 370 HB2 LYS 46 2HB LYS 46 13.190 -3.725 -1.605 371 HB3 LYS 46 1HB LYS 46 12.016 -4.486 -2.671 372 HG2 LYS 46 2HG LYS 46 12.724 -2.416 -3.648 373 HG3 LYS 46 1HG LYS 46 11.045 -2.255 -3.135 374 HD2 LYS 46 2HD LYS 46 11.794 -1.077 -1.102 375 HD3 LYS 46 1HD LYS 46 13.467 -1.220 -1.646 376 HE2 LYS 46 2HE LYS 46 12.866 0.070 -3.684 377 HE3 LYS 46 1HE LYS 46 11.241 0.282 -3.032 378 HZ1 LYS 46 3HZ LYS 46 12.170 1.478 -1.161 379 HZ2 LYS 46 1HZ LYS 46 12.652 2.202 -2.610 380 HZ3 LYS 46 2HZ LYS 46 13.739 1.242 -1.743 381 H LEU 47 H LEU 47 9.585 -1.784 -0.893 382 HA LEU 47 HA LEU 47 7.280 -3.398 -1.789 383 HB2 LEU 47 2HB LEU 47 7.303 -0.733 -0.368 384 HB3 LEU 47 1HB LEU 47 5.881 -1.683 -0.761 385 HG LEU 47 HG LEU 47 8.065 -2.583 1.129 386 HD11 LEU 47 1HD1 LEU 47 6.443 -2.135 2.913 387 HD12 LEU 47 2HD1 LEU 47 5.347 -1.426 1.726 388 HD13 LEU 47 3HD1 LEU 47 6.904 -0.666 2.051 389 HD21 LEU 47 3HD2 LEU 47 6.888 -4.444 0.088 390 HD22 LEU 47 1HD2 LEU 47 5.336 -3.738 0.545 391 HD23 LEU 47 2HD2 LEU 47 6.448 -4.306 1.792 392 H PHE 48 H PHE 48 6.426 -3.033 -3.735 393 HA PHE 48 HA PHE 48 6.877 -0.417 -5.051 394 HB2 PHE 48 2HB PHE 48 6.610 -3.134 -6.376 395 HB3 PHE 48 1HB PHE 48 6.779 -1.600 -7.221 396 HD1 PHE 48 HD1 PHE 48 8.920 -0.410 -7.232 397 HD2 PHE 48 HD2 PHE 48 8.505 -4.200 -5.321 398 HE1 PHE 48 HE1 PHE 48 11.369 -0.647 -7.172 399 HE2 PHE 48 HE2 PHE 48 10.952 -4.436 -5.256 400 HZ PHE 48 HZ PHE 48 12.387 -2.662 -6.177 401 H TRP 49 H TRP 49 5.033 0.725 -5.319 402 HA TRP 49 HA TRP 49 2.466 -0.733 -5.386 403 HB2 TRP 49 2HB TRP 49 3.163 2.030 -4.401 404 HB3 TRP 49 1HB TRP 49 1.500 1.563 -4.745 405 HD1 TRP 49 HD1 TRP 49 4.415 0.598 -2.386 406 HE1 TRP 49 HE1 TRP 49 3.406 -0.449 -0.261 407 HE3 TRP 49 HE3 TRP 49 -0.495 0.456 -3.796 408 HZ2 TRP 49 HZ2 TRP 49 0.867 -1.230 0.693 409 HZ3 TRP 49 HZ3 TRP 49 -2.151 -0.455 -2.223 410 HH2 TRP 49 HH2 TRP 49 -1.483 -1.284 -0.024 411 H LYS 50 H LYS 50 1.085 -0.522 -7.030 412 HA LYS 50 HA LYS 50 1.628 1.483 -9.136 413 HB2 LYS 50 2HB LYS 50 2.438 -0.673 -9.909 414 HB3 LYS 50 1HB LYS 50 0.915 -1.443 -9.478 415 HG2 LYS 50 2HG LYS 50 -0.168 0.138 -11.173 416 HG3 LYS 50 1HG LYS 50 1.473 0.474 -11.727 417 HD2 LYS 50 2HD LYS 50 0.118 -2.228 -11.658 418 HD3 LYS 50 1HD LYS 50 0.453 -1.261 -13.096 419 HE2 LYS 50 2HE LYS 50 2.853 -1.481 -12.689 420 HE3 LYS 50 1HE LYS 50 2.530 -2.414 -11.226 421 HZ1 LYS 50 3HZ LYS 50 1.787 -3.209 -13.984 422 HZ2 LYS 50 1HZ LYS 50 1.472 -4.103 -12.586 423 HZ3 LYS 50 2HZ LYS 50 3.065 -3.845 -13.086 424 H ARG 51 H ARG 51 -0.138 2.693 -9.657 425 HA ARG 51 HA ARG 51 -2.825 1.676 -8.906 426 HB2 ARG 51 2HB ARG 51 -2.156 3.706 -7.658 427 HB3 ARG 51 1HB ARG 51 -1.913 4.555 -9.181 428 HG2 ARG 51 2HG ARG 51 -4.372 4.035 -9.669 429 HG3 ARG 51 1HG ARG 51 -4.494 3.600 -7.964 430 HD2 ARG 51 2HD ARG 51 -5.187 5.864 -8.148 431 HD3 ARG 51 1HD ARG 51 -3.579 5.883 -7.424 432 HE ARG 51 HE ARG 51 -3.471 6.161 -10.266 433 HH11 ARG 51 1HH1 ARG 51 -4.032 7.881 -7.335 434 HH12 ARG 51 2HH1 ARG 51 -3.636 9.414 -8.031 435 HH21 ARG 51 1HH2 ARG 51 -2.984 8.123 -11.159 436 HH22 ARG 51 2HH2 ARG 51 -3.082 9.556 -10.185 437 H ASN 52 H ASN 52 -3.962 1.040 -10.682 438 HA ASN 52 HA ASN 52 -4.752 0.937 -12.834 439 HB2 ASN 52 2HB ASN 52 -4.417 3.945 -12.657 440 HB3 ASN 52 1HB ASN 52 -5.427 3.095 -13.823 441 HD21 ASN 52 1HD2 ASN 52 -6.184 5.084 -11.864 442 HD22 ASN 52 2HD2 ASN 52 -7.375 4.334 -10.861 443 H ASN 53 H ASN 53 -2.125 0.288 -12.782 444 HA ASN 53 HA ASN 53 -0.345 -0.083 -14.140 445 HB2 ASN 53 2HB ASN 53 -1.862 1.586 -16.161 446 HB3 ASN 53 1HB ASN 53 -0.428 0.624 -16.509 447 HD21 ASN 53 1HD2 ASN 53 -3.137 0.414 -17.598 448 HD22 ASN 53 2HD2 ASN 53 -3.645 -1.205 -17.272 449 H GLU 54 H GLU 54 -0.928 2.721 -12.685 450 HA GLU 54 HA GLU 54 1.335 4.238 -13.769 451 HB2 GLU 54 2HB GLU 54 -0.465 4.890 -11.420 452 HB3 GLU 54 1HB GLU 54 0.703 5.969 -12.158 453 HG2 GLU 54 2HG GLU 54 -0.611 6.124 -14.159 454 HG3 GLU 54 1HG GLU 54 -1.724 4.885 -13.574 455 H MET 55 H MET 55 3.361 4.095 -12.887 456 HA MET 55 HA MET 55 3.907 2.671 -10.472 457 HB2 MET 55 2HB MET 55 5.582 2.932 -12.276 458 HB3 MET 55 1HB MET 55 5.634 4.662 -11.975 459 HG2 MET 55 2HG MET 55 7.466 4.051 -10.792 460 HG3 MET 55 1HG MET 55 6.258 3.838 -9.529 461 HE1 MET 55 3HE MET 55 4.811 1.102 -10.216 462 HE2 MET 55 1HE MET 55 5.444 1.492 -8.614 463 HE3 MET 55 2HE MET 55 5.848 -0.049 -9.373 464 H VAL 56 H VAL 56 3.406 3.385 -8.480 465 HA VAL 56 HA VAL 56 2.595 6.120 -8.075 466 HB VAL 56 HB VAL 56 2.800 3.859 -6.073 467 HG11 VAL 56 1HG1 VAL 56 1.362 6.511 -5.854 468 HG12 VAL 56 2HG1 VAL 56 2.837 6.067 -4.995 469 HG13 VAL 56 3HG1 VAL 56 1.332 5.211 -4.660 470 HG21 VAL 56 3HG2 VAL 56 1.229 3.348 -7.865 471 HG22 VAL 56 1HG2 VAL 56 0.430 4.904 -7.634 472 HG23 VAL 56 2HG2 VAL 56 0.359 3.678 -6.367 473 H GLN 57 H GLN 57 3.923 7.737 -7.564 474 HA GLN 57 HA GLN 57 6.496 7.235 -6.306 475 HB2 GLN 57 2HB GLN 57 6.731 9.776 -6.545 476 HB3 GLN 57 1HB GLN 57 6.699 8.815 -8.011 477 HG2 GLN 57 2HG GLN 57 5.416 10.809 -8.345 478 HG3 GLN 57 1HG GLN 57 4.328 9.424 -8.334 479 HE21 GLN 57 1HE2 GLN 57 2.799 9.259 -6.731 480 HE22 GLN 57 2HE2 GLN 57 2.478 10.516 -5.597 481 H PHE 58 H PHE 58 7.204 8.413 -4.382 482 HA PHE 58 HA PHE 58 4.980 9.074 -2.542 483 HB2 PHE 58 2HB PHE 58 7.475 7.516 -1.813 484 HB3 PHE 58 1HB PHE 58 6.141 7.918 -0.735 485 HD1 PHE 58 HD1 PHE 58 3.809 7.002 -1.376 486 HD2 PHE 58 HD2 PHE 58 7.458 5.503 -2.986 487 HE1 PHE 58 HE1 PHE 58 2.675 4.910 -1.996 488 HE2 PHE 58 HE2 PHE 58 6.325 3.412 -3.609 489 HZ PHE 58 HZ PHE 58 3.933 3.110 -3.114 490 H ASN 59 H ASN 59 6.826 10.806 -4.119 491 HA ASN 59 HA ASN 59 8.589 11.997 -2.126 492 HB2 ASN 59 2HB ASN 59 9.303 13.468 -3.975 493 HB3 ASN 59 1HB ASN 59 9.397 11.767 -4.418 494 HD21 ASN 59 1HD2 ASN 59 7.763 14.776 -4.964 495 HD22 ASN 59 2HD2 ASN 59 6.903 14.275 -6.376 496 H THR 60 H THR 60 5.602 12.153 -1.843 497 HA THR 60 HA THR 60 5.390 15.068 -1.516 498 HB THR 60 HB THR 60 4.217 14.811 -3.560 499 HG1 THR 60 HG1 THR 60 2.400 15.729 -2.924 500 HG21 THR 60 3HG2 THR 60 2.780 12.445 -2.342 501 HG22 THR 60 1HG2 THR 60 4.027 12.371 -3.587 502 HG23 THR 60 2HG2 THR 60 2.471 13.124 -3.940 503 H ASP 61 H ASP 61 3.444 15.674 -0.191 504 HA ASP 61 HA ASP 61 3.247 13.986 2.147 505 HB2 ASP 61 2HB ASP 61 3.376 16.361 2.508 506 HB3 ASP 61 1HB ASP 61 2.014 16.661 1.434 507 H ARG 62 H ARG 62 1.251 14.711 -0.651 508 HA ARG 62 HA ARG 62 -1.204 13.736 0.458 509 HB2 ARG 62 2HB ARG 62 -0.440 14.067 -2.452 510 HB3 ARG 62 1HB ARG 62 -2.068 13.816 -1.838 511 HG2 ARG 62 2HG ARG 62 -1.727 15.971 -0.509 512 HG3 ARG 62 1HG ARG 62 -0.308 16.231 -1.526 513 HD2 ARG 62 2HD ARG 62 -3.184 15.994 -2.407 514 HD3 ARG 62 1HD ARG 62 -2.148 17.416 -2.500 515 HE ARG 62 HE ARG 62 -1.620 14.980 -4.072 516 HH11 ARG 62 1HH1 ARG 62 -1.944 18.397 -3.837 517 HH12 ARG 62 2HH1 ARG 62 -1.563 18.657 -5.502 518 HH21 ARG 62 1HH2 ARG 62 -1.102 15.324 -6.201 519 HH22 ARG 62 2HH2 ARG 62 -1.078 16.937 -6.823 520 H ILE 63 H ILE 63 1.488 12.216 -1.140 521 HA ILE 63 HA ILE 63 0.148 9.607 -0.760 522 HB ILE 63 HB ILE 63 2.082 10.247 -3.010 523 HG12 ILE 63 2HG1 ILE 63 -0.108 11.330 -3.378 524 HG13 ILE 63 1HG1 ILE 63 0.181 10.040 -4.537 525 HG21 ILE 63 1HG2 ILE 63 1.484 8.016 -3.853 526 HG22 ILE 63 2HG2 ILE 63 0.490 7.748 -2.421 527 HG23 ILE 63 3HG2 ILE 63 2.236 7.942 -2.260 528 HD11 ILE 63 3HD1 ILE 63 -1.579 9.879 -2.099 529 HD12 ILE 63 1HD1 ILE 63 -1.278 8.563 -3.234 530 HD13 ILE 63 2HD1 ILE 63 -2.112 10.019 -3.773 531 H SER 64 H SER 64 1.254 8.345 0.654 532 HA SER 64 HA SER 64 4.169 8.449 0.737 533 HB2 SER 64 2HB SER 64 4.331 8.941 3.106 534 HB3 SER 64 1HB SER 64 3.427 10.233 2.320 535 HG SER 64 HG SER 64 1.498 9.220 3.060 536 H LEU 65 H LEU 65 5.133 6.641 1.624 537 HA LEU 65 HA LEU 65 3.342 4.471 2.528 538 HB2 LEU 65 2HB LEU 65 4.001 4.034 0.229 539 HB3 LEU 65 1HB LEU 65 5.689 4.280 0.631 540 HG LEU 65 HG LEU 65 5.526 2.266 2.151 541 HD11 LEU 65 1HD1 LEU 65 3.110 2.227 2.450 542 HD12 LEU 65 2HD1 LEU 65 3.686 0.701 1.781 543 HD13 LEU 65 3HD1 LEU 65 2.889 1.878 0.735 544 HD21 LEU 65 3HD2 LEU 65 5.671 0.648 0.311 545 HD22 LEU 65 1HD2 LEU 65 6.572 2.125 -0.036 546 HD23 LEU 65 2HD2 LEU 65 5.002 1.850 -0.793 547 H TYR 66 H TYR 66 4.015 3.363 4.326 548 HA TYR 66 HA TYR 66 6.852 3.458 5.035 549 HB2 TYR 66 2HB TYR 66 6.533 4.171 7.274 550 HB3 TYR 66 1HB TYR 66 5.618 5.297 6.286 551 HD1 TYR 66 HD2 TYR 66 3.164 5.321 6.373 552 HD2 TYR 66 HD1 TYR 66 5.421 2.634 8.789 553 HE1 TYR 66 HE2 TYR 66 1.181 4.908 7.767 554 HE2 TYR 66 HE1 TYR 66 3.445 2.223 10.188 555 HH TYR 66 HH TYR 66 0.356 3.020 9.295 556 H GLN 67 H GLN 67 7.572 1.735 6.333 557 HA GLN 67 HA GLN 67 5.610 -0.392 6.879 558 HB2 GLN 67 2HB GLN 67 7.188 -2.092 6.081 559 HB3 GLN 67 1HB GLN 67 6.756 -0.971 4.799 560 HG2 GLN 67 2HG GLN 67 8.924 0.244 5.323 561 HG3 GLN 67 1HG GLN 67 9.353 -1.153 6.311 562 HE21 GLN 67 1HE2 GLN 67 9.540 -3.211 5.235 563 HE22 GLN 67 2HE2 GLN 67 9.943 -3.284 3.558 564 H ASP 68 H ASP 68 5.699 -1.127 8.903 565 HA ASP 68 HA ASP 68 7.809 -0.061 10.642 566 HB2 ASP 68 2HB ASP 68 5.376 0.362 11.111 567 HB3 ASP 68 1HB ASP 68 5.185 -1.361 11.422 568 H ASN 69 H ASN 69 8.687 -1.421 12.401 569 HA ASN 69 HA ASN 69 9.749 -3.837 11.390 570 HB2 ASN 69 2HB ASN 69 9.751 -2.764 14.218 571 HB3 ASN 69 1HB ASN 69 10.701 -4.143 13.676 572 HD21 ASN 69 1HD2 ASN 69 11.140 -2.765 11.023 573 HD22 ASN 69 2HD2 ASN 69 12.366 -1.603 11.358 574 H THR 70 H THR 70 6.834 -3.228 13.160 575 HA THR 70 HA THR 70 6.355 -5.868 14.116 576 HB THR 70 HB THR 70 5.016 -3.965 14.914 577 HG1 THR 70 HG1 THR 70 4.090 -6.345 14.304 578 HG21 THR 70 3HG2 THR 70 3.793 -3.958 12.149 579 HG22 THR 70 1HG2 THR 70 4.852 -2.715 12.810 580 HG23 THR 70 2HG2 THR 70 3.260 -2.985 13.522 581 H GLY 71 H GLY 71 6.752 -4.835 10.999 582 HA2 GLY 71 2HA GLY 71 6.569 -6.092 9.043 583 HA3 GLY 71 1HA GLY 71 5.526 -7.227 9.888 584 H ARG 72 H ARG 72 4.695 -3.903 10.212 585 HA ARG 72 HA ARG 72 2.294 -4.411 8.620 586 HB2 ARG 72 2HB ARG 72 2.034 -3.575 10.937 587 HB3 ARG 72 1HB ARG 72 2.875 -2.097 10.482 588 HG2 ARG 72 2HG ARG 72 1.111 -1.544 8.904 589 HG3 ARG 72 1HG ARG 72 0.290 -3.062 9.252 590 HD2 ARG 72 2HD ARG 72 0.776 -0.826 11.224 591 HD3 ARG 72 1HD ARG 72 -0.756 -1.178 10.424 592 HE ARG 72 HE ARG 72 0.482 -3.245 12.094 593 HH11 ARG 72 1HH1 ARG 72 -2.104 -1.032 11.534 594 HH12 ARG 72 2HH1 ARG 72 -3.053 -1.659 12.838 595 HH21 ARG 72 1HH2 ARG 72 -0.748 -4.032 13.751 596 HH22 ARG 72 2HH2 ARG 72 -2.305 -3.339 14.065 597 H VAL 73 H VAL 73 2.301 -3.824 6.583 598 HA VAL 73 HA VAL 73 3.769 -1.453 5.681 599 HB VAL 73 HB VAL 73 2.169 -3.479 4.086 600 HG11 VAL 73 1HG1 VAL 73 4.034 -1.289 3.161 601 HG12 VAL 73 2HG1 VAL 73 2.282 -1.327 2.951 602 HG13 VAL 73 3HG1 VAL 73 3.296 -2.510 2.124 603 HG21 VAL 73 3HG2 VAL 73 4.120 -4.510 5.117 604 HG22 VAL 73 1HG2 VAL 73 5.157 -3.234 4.478 605 HG23 VAL 73 2HG2 VAL 73 4.357 -4.355 3.376 606 H THR 74 H THR 74 2.746 0.476 5.348 607 HA THR 74 HA THR 74 -0.191 0.475 5.093 608 HB THR 74 HB THR 74 1.298 2.311 6.985 609 HG1 THR 74 HG1 THR 74 0.031 -0.152 7.331 610 HG21 THR 74 3HG2 THR 74 -0.954 2.986 7.717 611 HG22 THR 74 1HG2 THR 74 -1.665 1.957 6.472 612 HG23 THR 74 2HG2 THR 74 -0.692 3.355 6.013 613 H LEU 75 H LEU 75 -0.814 1.605 3.404 614 HA LEU 75 HA LEU 75 0.861 3.739 2.299 615 HB2 LEU 75 2HB LEU 75 -0.009 2.035 0.757 616 HB3 LEU 75 1HB LEU 75 -1.651 2.421 1.236 617 HG LEU 75 HG LEU 75 -1.371 4.694 0.279 618 HD11 LEU 75 1HD1 LEU 75 1.290 3.639 -0.681 619 HD12 LEU 75 2HD1 LEU 75 1.041 4.918 0.508 620 HD13 LEU 75 3HD1 LEU 75 0.550 5.167 -1.166 621 HD21 LEU 75 3HD2 LEU 75 -0.788 2.441 -1.647 622 HD22 LEU 75 1HD2 LEU 75 -1.476 4.011 -2.064 623 HD23 LEU 75 2HD2 LEU 75 -2.381 2.897 -1.041 624 H LEU 76 H LEU 76 0.481 5.790 2.877 625 HA LEU 76 HA LEU 76 -2.186 6.522 3.913 626 HB2 LEU 76 2HB LEU 76 0.508 7.815 4.385 627 HB3 LEU 76 1HB LEU 76 -1.014 8.443 4.988 628 HG LEU 76 HG LEU 76 0.253 5.806 5.764 629 HD11 LEU 76 1HD1 LEU 76 -0.134 8.370 7.319 630 HD12 LEU 76 2HD1 LEU 76 1.399 7.717 6.737 631 HD13 LEU 76 3HD1 LEU 76 0.488 6.854 7.974 632 HD21 LEU 76 3HD2 LEU 76 -2.310 7.080 6.740 633 HD22 LEU 76 1HD2 LEU 76 -1.573 5.609 7.380 634 HD23 LEU 76 2HD2 LEU 76 -2.188 5.641 5.728 635 H ILE 77 H ILE 77 -3.411 7.521 2.474 636 HA ILE 77 HA ILE 77 -2.168 9.377 0.536 637 HB ILE 77 HB ILE 77 -4.722 7.777 0.268 638 HG12 ILE 77 2HG1 ILE 77 -2.067 7.559 -1.185 639 HG13 ILE 77 1HG1 ILE 77 -2.675 6.427 0.019 640 HG21 ILE 77 1HG2 ILE 77 -3.439 9.704 -1.673 641 HG22 ILE 77 2HG2 ILE 77 -4.961 9.943 -0.816 642 HG23 ILE 77 3HG2 ILE 77 -4.822 8.668 -2.026 643 HD11 ILE 77 3HD1 ILE 77 -2.948 5.553 -2.222 644 HD12 ILE 77 1HD1 ILE 77 -3.889 6.972 -2.681 645 HD13 ILE 77 2HD1 ILE 77 -4.520 5.846 -1.480 646 H LYS 78 H LYS 78 -2.603 11.450 0.861 647 HA LYS 78 HA LYS 78 -4.936 12.225 2.492 648 HB2 LYS 78 2HB LYS 78 -2.389 13.803 2.078 649 HB3 LYS 78 1HB LYS 78 -3.654 14.103 3.265 650 HG2 LYS 78 2HG LYS 78 -3.053 12.133 4.495 651 HG3 LYS 78 1HG LYS 78 -1.914 11.644 3.239 652 HD2 LYS 78 2HD LYS 78 -0.713 13.847 3.685 653 HD3 LYS 78 1HD LYS 78 -1.713 13.979 5.133 654 HE2 LYS 78 2HE LYS 78 -0.832 11.830 5.926 655 HE3 LYS 78 1HE LYS 78 0.176 11.714 4.483 656 HZ1 LYS 78 3HZ LYS 78 1.240 13.818 5.175 657 HZ2 LYS 78 1HZ LYS 78 1.485 12.551 6.271 658 HZ3 LYS 78 2HZ LYS 78 0.359 13.761 6.619 659 H ASP 79 H ASP 79 -6.114 14.130 1.894 660 HA ASP 79 HA ASP 79 -7.085 15.640 0.491 661 HB2 ASP 79 2HB ASP 79 -4.541 16.413 0.779 662 HB3 ASP 79 1HB ASP 79 -4.495 16.088 -0.948 663 H VAL 80 H VAL 80 -7.202 12.926 -0.352 664 HA VAL 80 HA VAL 80 -6.442 12.677 -3.119 665 HB VAL 80 HB VAL 80 -6.476 10.778 -1.464 666 HG11 VAL 80 1HG1 VAL 80 -9.454 10.916 -1.897 667 HG12 VAL 80 2HG1 VAL 80 -8.607 11.266 -0.386 668 HG13 VAL 80 3HG1 VAL 80 -8.594 9.631 -1.051 669 HG21 VAL 80 3HG2 VAL 80 -8.080 10.369 -3.990 670 HG22 VAL 80 1HG2 VAL 80 -7.285 9.100 -3.058 671 HG23 VAL 80 2HG2 VAL 80 -6.321 10.344 -3.855 672 H ASN 81 H ASN 81 -7.717 12.781 -4.942 673 HA ASN 81 HA ASN 81 -10.596 13.362 -4.572 674 HB2 ASN 81 2HB ASN 81 -10.412 14.734 -6.689 675 HB3 ASN 81 1HB ASN 81 -9.600 15.406 -5.280 676 HD21 ASN 81 1HD2 ASN 81 -9.198 14.088 -8.440 677 HD22 ASN 81 2HD2 ASN 81 -7.506 14.396 -8.573 678 H LYS 82 H LYS 82 -11.712 13.099 -6.925 679 HA LYS 82 HA LYS 82 -12.047 10.415 -7.364 680 HB2 LYS 82 2HB LYS 82 -12.416 12.707 -9.292 681 HB3 LYS 82 1HB LYS 82 -12.909 11.067 -9.674 682 HG2 LYS 82 2HG LYS 82 -13.942 12.661 -7.330 683 HG3 LYS 82 1HG LYS 82 -14.761 12.497 -8.886 684 HD2 LYS 82 2HD LYS 82 -14.581 9.947 -8.459 685 HD3 LYS 82 1HD LYS 82 -14.254 10.403 -6.784 686 HE2 LYS 82 2HE LYS 82 -16.372 11.546 -6.632 687 HE3 LYS 82 1HE LYS 82 -16.691 11.264 -8.344 688 HZ1 LYS 82 3HZ LYS 82 -16.782 8.904 -7.924 689 HZ2 LYS 82 1HZ LYS 82 -17.874 9.700 -6.907 690 HZ3 LYS 82 2HZ LYS 82 -16.404 9.132 -6.294 691 H LYS 83 H LYS 83 -9.948 12.527 -9.320 692 HA LYS 83 HA LYS 83 -9.079 10.561 -11.119 693 HB2 LYS 83 2HB LYS 83 -7.728 13.118 -10.246 694 HB3 LYS 83 1HB LYS 83 -7.205 12.143 -11.613 695 HG2 LYS 83 2HG LYS 83 -9.865 13.544 -11.325 696 HG3 LYS 83 1HG LYS 83 -8.528 14.019 -12.376 697 HD2 LYS 83 2HD LYS 83 -8.757 11.874 -13.589 698 HD3 LYS 83 1HD LYS 83 -10.138 11.466 -12.569 699 HE2 LYS 83 2HE LYS 83 -10.899 12.332 -14.703 700 HE3 LYS 83 1HE LYS 83 -11.324 13.453 -13.411 701 HZ1 LYS 83 3HZ LYS 83 -10.437 14.564 -15.390 702 HZ2 LYS 83 1HZ LYS 83 -8.969 13.748 -15.202 703 HZ3 LYS 83 2HZ LYS 83 -9.486 14.852 -14.027 704 H ASP 84 H ASP 84 -8.234 10.880 -7.824 705 HA ASP 84 HA ASP 84 -5.726 9.409 -8.210 706 HB2 ASP 84 2HB ASP 84 -6.895 10.753 -5.763 707 HB3 ASP 84 1HB ASP 84 -5.437 9.759 -5.731 708 H ALA 85 H ALA 85 -8.925 8.615 -7.826 709 HA ALA 85 HA ALA 85 -8.546 6.340 -6.065 710 HB1 ALA 85 3HB ALA 85 -10.877 5.807 -6.597 711 HB2 ALA 85 1HB ALA 85 -10.892 7.070 -7.829 712 HB3 ALA 85 2HB ALA 85 -10.706 7.498 -6.129 713 H GLY 86 H GLY 86 -8.476 4.148 -6.692 714 HA2 GLY 86 2HA GLY 86 -8.837 3.182 -9.298 715 HA3 GLY 86 1HA GLY 86 -7.141 3.600 -9.133 716 H TRP 87 H TRP 87 -7.266 1.172 -9.711 717 HA TRP 87 HA TRP 87 -7.277 -0.460 -7.278 718 HB2 TRP 87 2HB TRP 87 -7.133 -1.088 -10.212 719 HB3 TRP 87 1HB TRP 87 -6.548 -2.266 -9.043 720 HD1 TRP 87 HD1 TRP 87 -9.792 -0.589 -10.227 721 HE1 TRP 87 HE1 TRP 87 -11.781 -1.978 -9.364 722 HE3 TRP 87 HE3 TRP 87 -7.261 -3.842 -7.198 723 HZ2 TRP 87 HZ2 TRP 87 -12.214 -4.170 -7.638 724 HZ3 TRP 87 HZ3 TRP 87 -8.534 -5.551 -5.972 725 HH2 TRP 87 HH2 TRP 87 -10.965 -5.714 -6.190 726 H TYR 88 H TYR 88 -5.523 -0.615 -6.107 727 HA TYR 88 HA TYR 88 -2.908 0.077 -7.205 728 HB2 TYR 88 2HB TYR 88 -3.889 -0.311 -4.370 729 HB3 TYR 88 1HB TYR 88 -2.202 -0.008 -4.776 730 HD1 TYR 88 HD1 TYR 88 -5.621 1.455 -5.092 731 HD2 TYR 88 HD2 TYR 88 -1.423 2.192 -5.034 732 HE1 TYR 88 HE1 TYR 88 -6.049 3.878 -5.058 733 HE2 TYR 88 HE2 TYR 88 -1.845 4.612 -4.996 734 HH TYR 88 HH TYR 88 -4.924 5.947 -4.403 735 H THR 89 H THR 89 -1.111 -1.241 -7.046 736 HA THR 89 HA THR 89 -1.538 -4.077 -6.324 737 HB THR 89 HB THR 89 0.174 -3.014 -8.600 738 HG1 THR 89 HG1 THR 89 -1.535 -4.765 -9.503 739 HG21 THR 89 3HG2 THR 89 1.205 -4.961 -7.512 740 HG22 THR 89 1HG2 THR 89 0.616 -5.365 -9.125 741 HG23 THR 89 2HG2 THR 89 -0.298 -5.864 -7.701 742 H VAL 90 H VAL 90 -0.300 -4.625 -4.626 743 HA VAL 90 HA VAL 90 2.153 -3.091 -4.086 744 HB VAL 90 HB VAL 90 0.591 -3.015 -2.251 745 HG11 VAL 90 1HG1 VAL 90 0.681 -6.034 -2.218 746 HG12 VAL 90 2HG1 VAL 90 -0.688 -5.039 -2.714 747 HG13 VAL 90 3HG1 VAL 90 -0.139 -5.012 -1.038 748 HG21 VAL 90 3HG2 VAL 90 2.967 -3.092 -1.681 749 HG22 VAL 90 1HG2 VAL 90 2.898 -4.854 -1.588 750 HG23 VAL 90 2HG2 VAL 90 1.995 -3.872 -0.434 751 H SER 91 H SER 91 4.014 -3.981 -4.584 752 HA SER 91 HA SER 91 4.271 -6.920 -4.693 753 HB2 SER 91 2HB SER 91 5.968 -4.806 -6.059 754 HB3 SER 91 1HB SER 91 6.168 -6.550 -6.223 755 HG SER 91 HG SER 91 4.709 -6.494 -7.718 756 H ALA 92 H ALA 92 5.236 -7.752 -2.935 757 HA ALA 92 HA ALA 92 7.362 -6.204 -1.586 758 HB1 ALA 92 3HB ALA 92 5.456 -6.824 -0.169 759 HB2 ALA 92 1HB ALA 92 6.941 -7.611 0.368 760 HB3 ALA 92 2HB ALA 92 5.733 -8.526 -0.536 761 H VAL 93 H VAL 93 9.383 -6.790 -2.106 762 HA VAL 93 HA VAL 93 9.890 -9.622 -2.790 763 HB VAL 93 HB VAL 93 10.061 -8.299 -4.792 764 HG11 VAL 93 1HG1 VAL 93 12.131 -6.616 -3.372 765 HG12 VAL 93 2HG1 VAL 93 10.486 -6.113 -3.760 766 HG13 VAL 93 3HG1 VAL 93 11.630 -6.457 -5.058 767 HG21 VAL 93 3HG2 VAL 93 11.638 -10.151 -4.547 768 HG22 VAL 93 1HG2 VAL 93 12.811 -9.072 -3.790 769 HG23 VAL 93 2HG2 VAL 93 12.358 -8.839 -5.478 770 H ASN 94 H ASN 94 10.986 -10.585 -1.248 771 HA ASN 94 HA ASN 94 13.289 -9.217 0.007 772 HB2 ASN 94 2HB ASN 94 11.595 -9.963 1.632 773 HB3 ASN 94 1HB ASN 94 11.678 -11.600 0.989 774 HD21 ASN 94 1HD2 ASN 94 12.251 -12.419 3.019 775 HD22 ASN 94 2HD2 ASN 94 13.825 -12.181 3.686 776 H GLU 95 H GLU 95 15.253 -10.562 0.322 777 HA GLU 95 HA GLU 95 16.060 -11.895 -2.007 778 HB2 GLU 95 2HB GLU 95 18.047 -12.586 -0.751 779 HB3 GLU 95 1HB GLU 95 17.657 -10.899 -0.450 780 HG2 GLU 95 2HG GLU 95 16.656 -11.503 1.699 781 HG3 GLU 95 1HG GLU 95 17.030 -13.201 1.400 782 H ALA 96 H ALA 96 14.526 -13.127 0.878 783 HA ALA 96 HA ALA 96 14.952 -15.895 0.358 784 HB1 ALA 96 3HB ALA 96 13.263 -16.287 2.074 785 HB2 ALA 96 1HB ALA 96 12.821 -14.579 2.042 786 HB3 ALA 96 2HB ALA 96 14.424 -15.065 2.593 787 H GLY 97 H GLY 97 12.517 -13.591 -0.719 788 HA2 GLY 97 2HA GLY 97 11.579 -15.124 -2.844 789 HA3 GLY 97 1HA GLY 97 10.529 -15.481 -1.484 790 H VAL 98 H VAL 98 9.171 -14.490 -3.464 791 HA VAL 98 HA VAL 98 8.731 -11.649 -2.825 792 HB VAL 98 HB VAL 98 10.097 -11.641 -4.842 793 HG11 VAL 98 1HG1 VAL 98 9.581 -13.884 -5.664 794 HG12 VAL 98 2HG1 VAL 98 9.345 -12.677 -6.927 795 HG13 VAL 98 3HG1 VAL 98 7.950 -13.363 -6.093 796 HG21 VAL 98 3HG2 VAL 98 8.343 -9.931 -4.633 797 HG22 VAL 98 1HG2 VAL 98 7.214 -10.981 -5.493 798 HG23 VAL 98 2HG2 VAL 98 8.638 -10.348 -6.321 799 H THR 99 H THR 99 6.626 -10.962 -2.878 800 HA THR 99 HA THR 99 4.539 -12.678 -4.030 801 HB THR 99 HB THR 99 4.549 -13.391 -1.714 802 HG1 THR 99 HG1 THR 99 2.475 -13.197 -2.586 803 HG21 THR 99 3HG2 THR 99 4.180 -10.477 -0.975 804 HG22 THR 99 1HG2 THR 99 5.653 -11.416 -0.728 805 HG23 THR 99 2HG2 THR 99 4.180 -11.843 0.142 806 H THR 100 H THR 100 2.702 -11.570 -4.728 807 HA THR 100 HA THR 100 2.701 -8.639 -4.400 808 HB THR 100 HB THR 100 2.349 -10.076 -7.047 809 HG1 THR 100 HG1 THR 100 4.544 -9.272 -5.788 810 HG21 THR 100 3HG2 THR 100 0.913 -8.105 -6.909 811 HG22 THR 100 1HG2 THR 100 2.259 -7.803 -8.008 812 HG23 THR 100 2HG2 THR 100 2.280 -7.125 -6.380 813 H CYS 101 H CYS 101 0.760 -7.794 -3.940 814 HA CYS 101 HA CYS 101 -1.688 -9.325 -4.564 815 HB2 CYS 101 2HB CYS 101 -1.214 -9.723 -2.206 816 HB3 CYS 101 1HB CYS 101 -1.037 -7.995 -1.916 817 HG CYS 101 HG CYS 101 -3.604 -7.367 -1.825 818 H ASN 102 H ASN 102 -3.694 -7.810 -4.043 819 HA ASN 102 HA ASN 102 -3.088 -5.137 -5.146 820 HB2 ASN 102 2HB ASN 102 -5.378 -7.002 -5.766 821 HB3 ASN 102 1HB ASN 102 -5.435 -5.285 -6.154 822 HD21 ASN 102 1HD2 ASN 102 -4.004 -4.464 -7.704 823 HD22 ASN 102 2HD2 ASN 102 -3.229 -5.496 -8.849 824 H THR 103 H THR 103 -4.482 -3.412 -4.584 825 HA THR 103 HA THR 103 -6.376 -3.778 -2.375 826 HB THR 103 HB THR 103 -4.189 -1.667 -2.288 827 HG1 THR 103 HG1 THR 103 -4.312 -4.257 -1.307 828 HG21 THR 103 3HG2 THR 103 -6.289 -0.970 -1.212 829 HG22 THR 103 1HG2 THR 103 -5.017 -1.233 -0.018 830 HG23 THR 103 2HG2 THR 103 -6.282 -2.443 -0.242 831 H ARG 104 H ARG 104 -8.062 -2.178 -2.392 832 HA ARG 104 HA ARG 104 -8.010 -0.466 -4.811 833 HB2 ARG 104 2HB ARG 104 -9.632 -2.388 -4.836 834 HB3 ARG 104 1HB ARG 104 -10.482 -1.609 -3.505 835 HG2 ARG 104 2HG ARG 104 -10.835 0.377 -4.941 836 HG3 ARG 104 1HG ARG 104 -10.069 -0.485 -6.274 837 HD2 ARG 104 2HD ARG 104 -11.834 -2.278 -5.944 838 HD3 ARG 104 1HD ARG 104 -12.658 -1.137 -4.879 839 HE ARG 104 HE ARG 104 -12.009 -0.304 -7.611 840 HH11 ARG 104 1HH1 ARG 104 -14.357 -1.090 -5.234 841 HH12 ARG 104 2HH1 ARG 104 -15.682 -0.552 -6.199 842 HH21 ARG 104 1HH2 ARG 104 -13.713 0.373 -8.855 843 HH22 ARG 104 2HH2 ARG 104 -15.323 0.244 -8.240 844 H LEU 105 H LEU 105 -8.744 1.622 -4.730 845 HA LEU 105 HA LEU 105 -9.697 2.680 -2.142 846 HB2 LEU 105 2HB LEU 105 -7.395 3.367 -2.355 847 HB3 LEU 105 1HB LEU 105 -7.654 3.908 -4.004 848 HG LEU 105 HG LEU 105 -9.149 5.703 -3.161 849 HD11 LEU 105 1HD1 LEU 105 -9.166 6.218 -0.756 850 HD12 LEU 105 2HD1 LEU 105 -8.321 4.702 -0.440 851 HD13 LEU 105 3HD1 LEU 105 -9.945 4.680 -1.127 852 HD21 LEU 105 3HD2 LEU 105 -6.793 6.172 -3.572 853 HD22 LEU 105 1HD2 LEU 105 -6.393 5.684 -1.925 854 HD23 LEU 105 2HD2 LEU 105 -7.393 7.111 -2.206 855 H ASP 106 H ASP 106 -11.653 3.576 -2.345 856 HA ASP 106 HA ASP 106 -12.475 4.643 -4.970 857 HB2 ASP 106 2HB ASP 106 -14.100 3.510 -2.684 858 HB3 ASP 106 1HB ASP 106 -14.828 4.403 -4.016 859 H VAL 107 H VAL 107 -13.034 6.743 -5.179 860 HA VAL 107 HA VAL 107 -13.237 8.379 -2.723 861 HB VAL 107 HB VAL 107 -12.122 9.271 -5.398 862 HG11 VAL 107 1HG1 VAL 107 -12.403 10.746 -2.774 863 HG12 VAL 107 2HG1 VAL 107 -13.245 11.104 -4.283 864 HG13 VAL 107 3HG1 VAL 107 -11.501 11.336 -4.170 865 HG21 VAL 107 3HG2 VAL 107 -10.587 7.770 -4.229 866 HG22 VAL 107 1HG2 VAL 107 -10.716 8.755 -2.770 867 HG23 VAL 107 2HG2 VAL 107 -9.969 9.423 -4.222 868 H THR 108 H THR 108 -14.753 10.038 -2.676 869 HA THR 108 HA THR 108 -16.786 10.054 -4.820 870 HB THR 108 HB THR 108 -17.299 9.970 -1.836 871 HG1 THR 108 HG1 THR 108 -18.089 7.949 -2.234 872 HG21 THR 108 3HG2 THR 108 -19.690 9.964 -2.409 873 HG22 THR 108 1HG2 THR 108 -19.284 10.192 -4.111 874 HG23 THR 108 2HG2 THR 108 -18.915 11.457 -2.939 875 H ALA 109 H ALA 109 -17.897 12.041 -5.128 876 HA ALA 109 HA ALA 109 -16.291 14.348 -4.521 877 HB1 ALA 109 3HB ALA 109 -18.966 14.191 -5.915 878 HB2 ALA 109 1HB ALA 109 -17.391 14.066 -6.699 879 HB3 ALA 109 2HB ALA 109 -17.867 15.571 -5.913 880 H ARG 110 H ARG 110 -16.581 15.833 -2.931 881 HA ARG 110 HA ARG 110 -18.413 15.429 -0.824 882 HB2 ARG 110 2HB ARG 110 -16.753 17.837 -1.584 883 HB3 ARG 110 1HB ARG 110 -17.759 17.798 -0.143 884 HG2 ARG 110 2HG ARG 110 -16.466 15.879 0.691 885 HG3 ARG 110 1HG ARG 110 -15.437 15.969 -0.740 886 HD2 ARG 110 2HD ARG 110 -14.793 18.270 -0.102 887 HD3 ARG 110 1HD ARG 110 -15.792 18.135 1.344 888 HE ARG 110 HE ARG 110 -14.007 16.020 1.423 889 HH11 ARG 110 1HH1 ARG 110 -13.886 19.468 1.512 890 HH12 ARG 110 2HH1 ARG 110 -12.358 19.495 2.315 891 HH21 ARG 110 1HH2 ARG 110 -12.085 16.083 2.482 892 HH22 ARG 110 2HH2 ARG 110 -11.352 17.608 2.864 893 HA PRO 111 HA PRO 111 -22.211 17.203 -2.347 894 HB2 PRO 111 2HB PRO 111 -23.116 18.243 0.086 895 HB3 PRO 111 1HB PRO 111 -23.381 16.595 -0.489 896 HG2 PRO 111 2HG PRO 111 -21.343 17.631 1.429 897 HG3 PRO 111 1HG PRO 111 -22.226 16.093 1.446 898 HD2 PRO 111 2HD PRO 111 -19.649 16.247 0.674 899 HD3 PRO 111 1HD PRO 111 -20.780 15.106 -0.081 900 H ASN 112 H ASN 112 -20.319 19.167 -0.059 901 HA ASN 112 HA ASN 112 -20.306 21.326 -2.037 902 HB2 ASN 112 2HB ASN 112 -22.039 21.963 -0.406 903 HB3 ASN 112 1HB ASN 112 -20.885 21.759 0.910 904 HD21 ASN 112 1HD2 ASN 112 -21.149 23.907 1.540 905 HD22 ASN 112 2HD2 ASN 112 -20.455 25.212 0.648 906 H GLN 113 H GLN 113 -18.215 21.438 -2.564 907 HA GLN 113 HA GLN 113 -16.133 20.488 -0.878 908 HB2 GLN 113 2HB GLN 113 -16.051 20.358 -3.337 909 HB3 GLN 113 1HB GLN 113 -15.958 22.112 -3.427 910 HG2 GLN 113 2HG GLN 113 -13.804 22.089 -2.317 911 HG3 GLN 113 1HG GLN 113 -13.908 20.340 -2.104 912 HE21 GLN 113 1HE2 GLN 113 -13.572 18.998 -3.875 913 HE22 GLN 113 2HE2 GLN 113 -12.903 19.570 -5.358 914 H THR 114 H THR 114 -14.621 21.544 0.328 915 HA THR 114 HA THR 114 -15.371 24.080 1.428 916 HB THR 114 HB THR 114 -13.384 23.796 2.884 917 HG1 THR 114 HG1 THR 114 -11.832 22.508 2.256 918 HG21 THR 114 3HG2 THR 114 -14.122 21.726 4.002 919 HG22 THR 114 1HG2 THR 114 -15.087 21.313 2.585 920 HG23 THR 114 2HG2 THR 114 -15.488 22.743 3.539 921 H LEU 115 H LEU 115 -13.933 23.599 -1.413 922 HA LEU 115 HA LEU 115 -12.637 24.790 -2.835 923 HB2 LEU 115 2HB LEU 115 -13.013 27.008 -0.816 924 HB3 LEU 115 1HB LEU 115 -12.394 27.212 -2.443 925 HG LEU 115 HG LEU 115 -15.188 26.298 -1.722 926 HD11 LEU 115 1HD1 LEU 115 -14.221 28.904 -2.906 927 HD12 LEU 115 2HD1 LEU 115 -14.792 28.670 -1.254 928 HD13 LEU 115 3HD1 LEU 115 -15.902 28.453 -2.607 929 HD21 LEU 115 3HD2 LEU 115 -15.652 26.478 -4.122 930 HD22 LEU 115 1HD2 LEU 115 -14.413 25.267 -3.795 931 HD23 LEU 115 2HD2 LEU 115 -13.954 26.849 -4.425 932 HA PRO 116 HA PRO 116 -8.692 24.091 -0.518 933 HB2 PRO 116 2HB PRO 116 -7.967 22.589 -2.939 934 HB3 PRO 116 1HB PRO 116 -7.987 22.053 -1.257 935 HG2 PRO 116 2HG PRO 116 -9.776 21.163 -3.073 936 HG3 PRO 116 1HG PRO 116 -10.190 21.376 -1.361 937 HD2 PRO 116 2HD PRO 116 -10.786 23.178 -3.693 938 HD3 PRO 116 1HD PRO 116 -11.841 22.694 -2.346 Start of MODEL 10 1 H1 MET 1 1H MET 1 22.491 -41.646 12.421 2 H2 MET 1 2H MET 1 22.019 -42.698 13.656 3 H3 MET 1 3H MET 1 22.738 -41.213 14.036 4 HA MET 1 HA MET 1 20.109 -41.605 12.730 5 HB2 MET 1 2HB MET 1 20.834 -40.637 15.508 6 HB3 MET 1 1HB MET 1 19.211 -40.598 14.828 7 HG2 MET 1 2HG MET 1 20.865 -43.064 15.354 8 HG3 MET 1 1HG MET 1 19.486 -42.505 16.304 9 HE1 MET 1 3HE MET 1 18.085 -45.713 14.521 10 HE2 MET 1 1HE MET 1 18.304 -44.893 16.066 11 HE3 MET 1 2HE MET 1 19.709 -45.459 15.163 12 H GLY 2 H GLY 2 20.346 -40.133 11.065 13 HA2 GLY 2 2HA GLY 2 21.347 -37.456 11.565 14 HA3 GLY 2 1HA GLY 2 20.718 -38.075 10.048 15 H HIS 3 H HIS 3 20.153 -35.510 11.243 16 HA HIS 3 HA HIS 3 17.220 -35.732 11.334 17 HB2 HIS 3 2HB HIS 3 18.878 -34.028 13.216 18 HB3 HIS 3 1HB HIS 3 17.124 -33.970 13.083 19 HD1 HIS 3 HD1 HIS 3 15.827 -36.162 13.871 20 HD2 HIS 3 HD2 HIS 3 19.859 -36.008 14.864 21 HE1 HIS 3 HE1 HIS 3 16.149 -37.908 15.638 22 HE2 HIS 3 HE2 HIS 3 18.536 -37.642 16.371 23 H HIS 4 H HIS 4 16.605 -34.768 9.506 24 HA HIS 4 HA HIS 4 18.183 -32.640 8.305 25 HB2 HIS 4 2HB HIS 4 17.251 -34.532 6.984 26 HB3 HIS 4 1HB HIS 4 15.627 -33.965 7.350 27 HD1 HIS 4 HD1 HIS 4 14.779 -31.894 6.047 28 HD2 HIS 4 HD2 HIS 4 18.638 -33.066 5.041 29 HE1 HIS 4 HE1 HIS 4 15.318 -30.681 3.919 30 HE2 HIS 4 HE2 HIS 4 17.598 -31.504 3.259 31 H HIS 5 H HIS 5 17.876 -30.626 9.153 32 HA HIS 5 HA HIS 5 15.186 -29.500 9.144 33 HB2 HIS 5 2HB HIS 5 15.512 -28.585 11.496 34 HB3 HIS 5 1HB HIS 5 15.164 -30.305 11.372 35 HD1 HIS 5 HD1 HIS 5 16.674 -31.785 12.667 36 HD2 HIS 5 HD2 HIS 5 18.430 -28.097 11.908 37 HE1 HIS 5 HE1 HIS 5 18.854 -31.811 13.907 38 HE2 HIS 5 HE2 HIS 5 19.945 -29.620 13.354 39 H HIS 6 H HIS 6 15.219 -27.495 8.339 40 HA HIS 6 HA HIS 6 17.768 -26.084 8.134 41 HB2 HIS 6 2HB HIS 6 16.438 -24.466 6.705 42 HB3 HIS 6 1HB HIS 6 16.584 -26.103 6.084 43 HD1 HIS 6 HD1 HIS 6 14.474 -26.981 5.166 44 HD2 HIS 6 HD2 HIS 6 13.779 -24.178 8.155 45 HE1 HIS 6 HE1 HIS 6 11.982 -26.728 5.284 46 HE2 HIS 6 HE2 HIS 6 11.591 -24.938 7.004 47 H HIS 7 H HIS 7 17.347 -26.077 10.662 48 HA HIS 7 HA HIS 7 16.760 -23.288 11.300 49 HB2 HIS 7 2HB HIS 7 15.340 -25.632 12.542 50 HB3 HIS 7 1HB HIS 7 15.641 -24.186 13.500 51 HD1 HIS 7 HD1 HIS 7 14.357 -22.036 12.853 52 HD2 HIS 7 HD2 HIS 7 13.362 -25.353 10.555 53 HE1 HIS 7 HE1 HIS 7 12.266 -21.402 11.629 54 HE2 HIS 7 HE2 HIS 7 11.576 -23.484 10.411 55 H HIS 8 H HIS 8 17.542 -22.740 13.564 56 HA HIS 8 HA HIS 8 19.309 -22.510 14.980 57 HB2 HIS 8 2HB HIS 8 18.823 -24.791 15.730 58 HB3 HIS 8 1HB HIS 8 19.759 -25.456 14.399 59 HD1 HIS 8 HD1 HIS 8 20.228 -23.521 17.615 60 HD2 HIS 8 HD2 HIS 8 22.439 -25.759 14.906 61 HE1 HIS 8 HE1 HIS 8 22.473 -23.834 18.681 62 HE2 HIS 8 HE2 HIS 8 23.856 -24.982 16.922 63 H SER 9 H SER 9 19.529 -22.885 11.788 64 HA SER 9 HA SER 9 22.260 -23.247 11.214 65 HB2 SER 9 2HB SER 9 20.252 -21.636 9.610 66 HB3 SER 9 1HB SER 9 21.737 -22.371 9.008 67 HG SER 9 HG SER 9 20.600 -24.089 8.654 68 H HIS 10 H HIS 10 23.774 -21.632 10.398 69 HA HIS 10 HA HIS 10 24.421 -19.692 12.228 70 HB2 HIS 10 2HB HIS 10 25.944 -20.633 10.500 71 HB3 HIS 10 1HB HIS 10 25.150 -19.633 9.290 72 HD1 HIS 10 HD1 HIS 10 27.228 -19.272 12.446 73 HD2 HIS 10 HD2 HIS 10 26.182 -17.103 9.056 74 HE1 HIS 10 HE1 HIS 10 28.635 -17.195 12.511 75 HE2 HIS 10 HE2 HIS 10 28.126 -16.003 10.363 76 H GLU 11 H GLU 11 22.436 -19.255 9.318 77 HA GLU 11 HA GLU 11 21.704 -16.579 10.300 78 HB2 GLU 11 2HB GLU 11 22.436 -17.242 7.438 79 HB3 GLU 11 1HB GLU 11 21.739 -15.715 7.968 80 HG2 GLU 11 2HG GLU 11 23.708 -15.399 9.459 81 HG3 GLU 11 1HG GLU 11 24.417 -16.852 8.760 82 H HIS 12 H HIS 12 19.595 -15.939 9.958 83 HA HIS 12 HA HIS 12 17.771 -18.093 9.083 84 HB2 HIS 12 2HB HIS 12 17.016 -15.778 10.872 85 HB3 HIS 12 1HB HIS 12 16.187 -17.321 10.669 86 HD1 HIS 12 HD1 HIS 12 18.203 -15.637 13.012 87 HD2 HIS 12 HD2 HIS 12 18.110 -19.539 11.580 88 HE1 HIS 12 HE1 HIS 12 19.437 -17.009 14.713 89 HE2 HIS 12 HE2 HIS 12 19.582 -19.299 13.696 90 H LYS 13 H LYS 13 16.857 -17.751 7.143 91 HA LYS 13 HA LYS 13 16.084 -14.995 6.392 92 HB2 LYS 13 2HB LYS 13 16.665 -17.349 4.572 93 HB3 LYS 13 1HB LYS 13 16.175 -15.745 4.044 94 HG2 LYS 13 2HG LYS 13 18.247 -14.805 4.917 95 HG3 LYS 13 1HG LYS 13 18.738 -16.399 5.502 96 HD2 LYS 13 2HD LYS 13 18.615 -17.227 3.149 97 HD3 LYS 13 1HD LYS 13 18.293 -15.572 2.626 98 HE2 LYS 13 2HE LYS 13 20.765 -16.492 4.097 99 HE3 LYS 13 1HE LYS 13 20.657 -16.222 2.359 100 HZ1 LYS 13 3HZ LYS 13 20.123 -13.891 2.823 101 HZ2 LYS 13 1HZ LYS 13 21.635 -14.328 3.437 102 HZ3 LYS 13 2HZ LYS 13 20.319 -14.170 4.480 103 H ARG 14 H ARG 14 13.968 -14.591 5.876 104 HA ARG 14 HA ARG 14 12.141 -16.894 5.596 105 HB2 ARG 14 2HB ARG 14 11.869 -16.089 7.869 106 HB3 ARG 14 1HB ARG 14 11.627 -14.444 7.295 107 HG2 ARG 14 2HG ARG 14 9.501 -14.872 6.516 108 HG3 ARG 14 1HG ARG 14 9.807 -16.597 6.311 109 HD2 ARG 14 2HD ARG 14 8.288 -16.231 8.155 110 HD3 ARG 14 1HD ARG 14 9.811 -16.882 8.747 111 HE ARG 14 HE ARG 14 9.559 -13.995 8.851 112 HH11 ARG 14 1HH1 ARG 14 9.130 -16.981 10.517 113 HH12 ARG 14 2HH1 ARG 14 9.250 -16.253 12.082 114 HH21 ARG 14 1HH2 ARG 14 9.658 -13.069 10.875 115 HH22 ARG 14 2HH2 ARG 14 9.563 -14.077 12.278 116 H ALA 15 H ALA 15 11.009 -16.824 3.789 117 HA ALA 15 HA ALA 15 11.088 -14.617 1.998 118 HB1 ALA 15 3HB ALA 15 9.337 -17.078 1.936 119 HB2 ALA 15 1HB ALA 15 10.941 -16.928 1.220 120 HB3 ALA 15 2HB ALA 15 9.604 -15.964 0.593 121 HA PRO 16 HA PRO 16 7.755 -12.144 3.532 122 HB2 PRO 16 2HB PRO 16 7.056 -10.837 1.231 123 HB3 PRO 16 1HB PRO 16 8.499 -10.452 2.175 124 HG2 PRO 16 2HG PRO 16 8.249 -12.167 -0.277 125 HG3 PRO 16 1HG PRO 16 9.454 -10.917 0.095 126 HD2 PRO 16 2HD PRO 16 10.019 -13.518 0.409 127 HD3 PRO 16 1HD PRO 16 10.628 -12.298 1.551 128 H MET 17 H MET 17 5.593 -12.264 3.799 129 HA MET 17 HA MET 17 3.896 -13.565 1.808 130 HB2 MET 17 2HB MET 17 4.525 -15.476 3.062 131 HB3 MET 17 1HB MET 17 4.409 -14.617 4.591 132 HG2 MET 17 2HG MET 17 2.585 -16.229 4.261 133 HG3 MET 17 1HG MET 17 2.003 -14.575 4.440 134 HE1 MET 17 3HE MET 17 -0.373 -15.241 3.493 135 HE2 MET 17 1HE MET 17 0.188 -16.910 3.375 136 HE3 MET 17 2HE MET 17 -0.603 -16.148 1.997 137 H PHE 18 H PHE 18 2.077 -12.396 1.590 138 HA PHE 18 HA PHE 18 1.274 -10.412 3.494 139 HB2 PHE 18 2HB PHE 18 0.023 -11.489 0.969 140 HB3 PHE 18 1HB PHE 18 -0.846 -10.360 2.000 141 HD1 PHE 18 HD1 PHE 18 -0.112 -8.050 2.221 142 HD2 PHE 18 HD2 PHE 18 1.921 -10.767 -0.352 143 HE1 PHE 18 HE1 PHE 18 0.990 -6.158 1.097 144 HE2 PHE 18 HE2 PHE 18 3.025 -8.878 -1.475 145 HZ PHE 18 HZ PHE 18 2.562 -6.573 -0.755 146 H ILE 19 H ILE 19 0.579 -11.087 5.433 147 HA ILE 19 HA ILE 19 -0.988 -13.461 5.835 148 HB ILE 19 HB ILE 19 -0.593 -11.171 7.780 149 HG12 ILE 19 2HG1 ILE 19 1.139 -13.638 7.398 150 HG13 ILE 19 1HG1 ILE 19 1.581 -12.012 6.885 151 HG21 ILE 19 1HG2 ILE 19 -2.338 -12.751 8.416 152 HG22 ILE 19 2HG2 ILE 19 -0.946 -12.911 9.486 153 HG23 ILE 19 3HG2 ILE 19 -1.218 -14.099 8.210 154 HD11 ILE 19 3HD1 ILE 19 1.110 -12.907 9.721 155 HD12 ILE 19 1HD1 ILE 19 1.543 -11.272 9.216 156 HD13 ILE 19 2HD1 ILE 19 2.673 -12.603 8.962 157 H TYR 20 H TYR 20 -1.646 -10.011 5.615 158 HA TYR 20 HA TYR 20 -4.532 -10.579 5.383 159 HB2 TYR 20 2HB TYR 20 -3.341 -8.195 6.836 160 HB3 TYR 20 1HB TYR 20 -5.054 -8.514 6.599 161 HD1 TYR 20 HD1 TYR 20 -6.036 -10.621 7.704 162 HD2 TYR 20 HD2 TYR 20 -2.230 -9.007 8.731 163 HE1 TYR 20 HE1 TYR 20 -6.122 -11.799 9.860 164 HE2 TYR 20 HE2 TYR 20 -2.308 -10.187 10.885 165 HH TYR 20 HH TYR 20 -4.556 -12.623 11.581 166 H LYS 21 H LYS 21 -5.586 -9.414 3.783 167 HA LYS 21 HA LYS 21 -3.990 -7.514 2.206 168 HB2 LYS 21 2HB LYS 21 -5.759 -7.674 0.522 169 HB3 LYS 21 1HB LYS 21 -5.172 -9.274 0.952 170 HG2 LYS 21 2HG LYS 21 -7.122 -9.657 2.341 171 HG3 LYS 21 1HG LYS 21 -7.697 -8.018 2.027 172 HD2 LYS 21 2HD LYS 21 -7.882 -8.561 -0.374 173 HD3 LYS 21 1HD LYS 21 -7.350 -10.208 -0.031 174 HE2 LYS 21 2HE LYS 21 -9.315 -10.493 1.450 175 HE3 LYS 21 1HE LYS 21 -9.859 -8.878 1.004 176 HZ1 LYS 21 3HZ LYS 21 -9.468 -11.121 -0.902 177 HZ2 LYS 21 1HZ LYS 21 -10.087 -9.591 -1.270 178 HZ3 LYS 21 2HZ LYS 21 -10.959 -10.641 -0.274 179 HA PRO 22 HA PRO 22 -5.968 -4.097 4.284 180 HB2 PRO 22 2HB PRO 22 -5.620 -2.189 2.320 181 HB3 PRO 22 1HB PRO 22 -4.378 -2.666 3.479 182 HG2 PRO 22 2HG PRO 22 -4.756 -3.524 0.641 183 HG3 PRO 22 1HG PRO 22 -3.255 -3.159 1.513 184 HD2 PRO 22 2HD PRO 22 -4.068 -5.688 1.026 185 HD3 PRO 22 1HD PRO 22 -3.172 -5.249 2.494 186 H GLN 23 H GLN 23 -8.022 -3.273 4.394 187 HA GLN 23 HA GLN 23 -9.888 -4.133 2.329 188 HB2 GLN 23 2HB GLN 23 -10.515 -2.784 4.968 189 HB3 GLN 23 1HB GLN 23 -11.644 -3.633 3.921 190 HG2 GLN 23 2HG GLN 23 -11.274 -5.227 5.523 191 HG3 GLN 23 1HG GLN 23 -10.045 -5.672 4.343 192 HE21 GLN 23 1HE2 GLN 23 -10.661 -4.330 7.475 193 HE22 GLN 23 2HE2 GLN 23 -9.025 -4.372 8.041 194 H SER 24 H SER 24 -11.316 -2.770 1.226 195 HA SER 24 HA SER 24 -10.146 -0.225 0.536 196 HB2 SER 24 2HB SER 24 -11.874 -0.166 -1.223 197 HB3 SER 24 1HB SER 24 -11.020 -1.707 -1.206 198 HG SER 24 HG SER 24 -13.558 -1.204 -0.016 199 H LYS 25 H LYS 25 -10.819 1.787 1.048 200 HA LYS 25 HA LYS 25 -13.451 2.109 2.362 201 HB2 LYS 25 2HB LYS 25 -10.979 3.836 2.704 202 HB3 LYS 25 1HB LYS 25 -12.547 4.162 3.423 203 HG2 LYS 25 2HG LYS 25 -11.351 3.225 5.166 204 HG3 LYS 25 1HG LYS 25 -12.281 1.858 4.549 205 HD2 LYS 25 2HD LYS 25 -10.332 1.071 3.307 206 HD3 LYS 25 1HD LYS 25 -9.400 2.469 3.851 207 HE2 LYS 25 2HE LYS 25 -9.651 1.714 6.181 208 HE3 LYS 25 1HE LYS 25 -10.558 0.309 5.618 209 HZ1 LYS 25 3HZ LYS 25 -7.709 0.936 5.096 210 HZ2 LYS 25 1HZ LYS 25 -8.552 -0.299 4.304 211 HZ3 LYS 25 2HZ LYS 25 -8.332 -0.366 5.980 212 H LYS 26 H LYS 26 -14.478 4.257 1.958 213 HA LYS 26 HA LYS 26 -13.747 5.366 -0.674 214 HB2 LYS 26 2HB LYS 26 -16.167 5.646 -1.153 215 HB3 LYS 26 1HB LYS 26 -15.686 3.965 -0.991 216 HG2 LYS 26 2HG LYS 26 -16.513 4.126 1.416 217 HG3 LYS 26 1HG LYS 26 -17.270 5.644 0.932 218 HD2 LYS 26 2HD LYS 26 -17.788 2.910 -0.262 219 HD3 LYS 26 1HD LYS 26 -18.869 3.802 0.806 220 HE2 LYS 26 2HE LYS 26 -19.756 4.139 -1.332 221 HE3 LYS 26 1HE LYS 26 -18.859 5.620 -1.007 222 HZ1 LYS 26 3HZ LYS 26 -17.136 4.950 -2.442 223 HZ2 LYS 26 1HZ LYS 26 -18.565 4.606 -3.273 224 HZ3 LYS 26 2HZ LYS 26 -17.695 3.356 -2.531 225 H VAL 27 H VAL 27 -13.103 7.397 -0.440 226 HA VAL 27 HA VAL 27 -14.199 9.008 1.795 227 HB VAL 27 HB VAL 27 -12.075 10.246 1.801 228 HG11 VAL 27 1HG1 VAL 27 -10.645 8.482 2.727 229 HG12 VAL 27 2HG1 VAL 27 -11.693 7.256 2.014 230 HG13 VAL 27 3HG1 VAL 27 -12.313 8.317 3.277 231 HG21 VAL 27 3HG2 VAL 27 -11.440 10.024 -0.534 232 HG22 VAL 27 1HG2 VAL 27 -11.216 8.286 -0.336 233 HG23 VAL 27 2HG2 VAL 27 -10.145 9.414 0.496 234 H LEU 28 H LEU 28 -14.020 11.443 1.409 235 HA LEU 28 HA LEU 28 -15.064 12.080 -1.248 236 HB2 LEU 28 2HB LEU 28 -14.904 13.675 1.312 237 HB3 LEU 28 1HB LEU 28 -15.451 14.361 -0.205 238 HG LEU 28 HG LEU 28 -16.785 12.048 1.218 239 HD11 LEU 28 1HD1 LEU 28 -17.002 14.129 2.480 240 HD12 LEU 28 2HD1 LEU 28 -18.544 13.653 1.770 241 HD13 LEU 28 3HD1 LEU 28 -17.599 14.952 1.039 242 HD21 LEU 28 3HD2 LEU 28 -17.061 12.056 -1.238 243 HD22 LEU 28 1HD2 LEU 28 -17.711 13.691 -1.146 244 HD23 LEU 28 2HD2 LEU 28 -18.575 12.351 -0.386 245 H GLU 29 H GLU 29 -14.271 13.883 -2.464 246 HA GLU 29 HA GLU 29 -11.543 14.021 -2.918 247 HB2 GLU 29 2HB GLU 29 -13.665 16.120 -3.438 248 HB3 GLU 29 1HB GLU 29 -12.044 16.159 -4.125 249 HG2 GLU 29 2HG GLU 29 -12.507 14.040 -5.277 250 HG3 GLU 29 1HG GLU 29 -14.135 14.040 -4.597 251 H GLY 30 H GLY 30 -9.938 14.722 -1.624 252 HA2 GLY 30 2HA GLY 30 -8.774 16.540 -0.592 253 HA3 GLY 30 1HA GLY 30 -10.314 17.249 -0.146 254 H ASP 31 H ASP 31 -10.512 14.005 0.559 255 HA ASP 31 HA ASP 31 -9.702 14.477 3.351 256 HB2 ASP 31 2HB ASP 31 -11.603 12.484 2.114 257 HB3 ASP 31 1HB ASP 31 -11.076 12.379 3.793 258 H SER 32 H SER 32 -9.209 12.088 4.399 259 HA SER 32 HA SER 32 -6.979 10.982 2.802 260 HB2 SER 32 2HB SER 32 -5.635 10.804 4.854 261 HB3 SER 32 1HB SER 32 -6.097 12.477 4.551 262 HG SER 32 HG SER 32 -6.594 10.949 6.704 263 H VAL 33 H VAL 33 -6.368 8.813 3.231 264 HA VAL 33 HA VAL 33 -8.311 7.161 4.709 265 HB VAL 33 HB VAL 33 -8.964 7.157 2.332 266 HG11 VAL 33 1HG1 VAL 33 -6.201 6.030 1.841 267 HG12 VAL 33 2HG1 VAL 33 -6.807 7.600 1.311 268 HG13 VAL 33 3HG1 VAL 33 -7.497 6.120 0.646 269 HG21 VAL 33 3HG2 VAL 33 -9.012 4.718 2.002 270 HG22 VAL 33 1HG2 VAL 33 -9.402 5.161 3.664 271 HG23 VAL 33 2HG2 VAL 33 -7.805 4.524 3.272 272 H LYS 34 H LYS 34 -7.501 5.191 5.509 273 HA LYS 34 HA LYS 34 -4.569 4.870 5.349 274 HB2 LYS 34 2HB LYS 34 -4.767 3.715 7.567 275 HB3 LYS 34 1HB LYS 34 -5.180 5.424 7.591 276 HG2 LYS 34 2HG LYS 34 -7.558 4.864 7.575 277 HG3 LYS 34 1HG LYS 34 -7.159 3.146 7.516 278 HD2 LYS 34 2HD LYS 34 -6.144 3.251 9.701 279 HD3 LYS 34 1HD LYS 34 -6.318 5.006 9.745 280 HE2 LYS 34 2HE LYS 34 -8.587 3.011 9.678 281 HE3 LYS 34 1HE LYS 34 -8.036 3.897 11.099 282 HZ1 LYS 34 3HZ LYS 34 -8.601 5.966 9.959 283 HZ2 LYS 34 1HZ LYS 34 -9.952 4.968 10.139 284 HZ3 LYS 34 2HZ LYS 34 -9.189 5.090 8.638 285 H LEU 35 H LEU 35 -3.826 3.108 4.365 286 HA LEU 35 HA LEU 35 -5.479 0.646 4.321 287 HB2 LEU 35 2HB LEU 35 -3.593 1.641 2.166 288 HB3 LEU 35 1HB LEU 35 -4.484 0.130 2.123 289 HG LEU 35 HG LEU 35 -5.757 2.880 2.126 290 HD11 LEU 35 1HD1 LEU 35 -6.273 2.430 -0.227 291 HD12 LEU 35 2HD1 LEU 35 -5.333 0.940 -0.148 292 HD13 LEU 35 3HD1 LEU 35 -4.535 2.500 0.061 293 HD21 LEU 35 3HD2 LEU 35 -6.960 0.137 1.714 294 HD22 LEU 35 1HD2 LEU 35 -7.811 1.674 1.541 295 HD23 LEU 35 2HD2 LEU 35 -7.195 1.180 3.117 296 H GLU 36 H GLU 36 -4.512 -0.879 5.591 297 HA GLU 36 HA GLU 36 -1.569 -1.048 5.556 298 HB2 GLU 36 2HB GLU 36 -1.531 -1.391 7.986 299 HB3 GLU 36 1HB GLU 36 -2.185 0.184 7.560 300 HG2 GLU 36 2HG GLU 36 -4.461 -0.701 7.886 301 HG3 GLU 36 1HG GLU 36 -3.769 -2.242 8.388 302 H CYS 37 H CYS 37 -0.660 -3.058 6.181 303 HA CYS 37 HA CYS 37 -2.355 -5.386 6.514 304 HB2 CYS 37 2HB CYS 37 -1.460 -6.576 4.552 305 HB3 CYS 37 1HB CYS 37 -2.351 -5.138 4.072 306 HG CYS 37 HG CYS 37 -0.250 -5.271 2.331 307 H GLN 38 H GLN 38 -0.864 -7.445 6.503 308 HA GLN 38 HA GLN 38 1.641 -6.760 7.914 309 HB2 GLN 38 2HB GLN 38 -0.281 -9.040 8.416 310 HB3 GLN 38 1HB GLN 38 1.322 -8.950 9.132 311 HG2 GLN 38 2HG GLN 38 -0.849 -6.894 9.521 312 HG3 GLN 38 1HG GLN 38 -0.492 -8.210 10.637 313 HE21 GLN 38 1HE2 GLN 38 2.412 -7.966 10.207 314 HE22 GLN 38 2HE2 GLN 38 2.888 -6.555 11.070 315 H ILE 39 H ILE 39 3.455 -7.420 6.979 316 HA ILE 39 HA ILE 39 3.424 -9.837 5.267 317 HB ILE 39 HB ILE 39 5.260 -7.437 4.991 318 HG12 ILE 39 2HG1 ILE 39 2.984 -8.338 3.200 319 HG13 ILE 39 1HG1 ILE 39 2.940 -6.946 4.278 320 HG21 ILE 39 1HG2 ILE 39 6.018 -8.531 2.915 321 HG22 ILE 39 2HG2 ILE 39 4.994 -9.920 3.281 322 HG23 ILE 39 3HG2 ILE 39 6.349 -9.522 4.337 323 HD11 ILE 39 3HD1 ILE 39 4.752 -5.912 2.993 324 HD12 ILE 39 1HD1 ILE 39 3.337 -6.255 1.999 325 HD13 ILE 39 2HD1 ILE 39 4.754 -7.299 1.901 326 H SER 40 H SER 40 4.626 -11.490 6.083 327 HA SER 40 HA SER 40 6.618 -10.867 8.162 328 HB2 SER 40 2HB SER 40 4.893 -12.625 8.612 329 HB3 SER 40 1HB SER 40 5.592 -13.591 7.311 330 HG SER 40 HG SER 40 6.319 -13.970 9.594 331 H ALA 41 H ALA 41 8.489 -10.267 7.182 332 HA ALA 41 HA ALA 41 9.815 -12.265 5.466 333 HB1 ALA 41 3HB ALA 41 10.717 -10.541 4.028 334 HB2 ALA 41 1HB ALA 41 9.907 -9.291 4.971 335 HB3 ALA 41 2HB ALA 41 8.955 -10.447 4.039 336 H ILE 42 H ILE 42 12.012 -12.549 5.825 337 HA ILE 42 HA ILE 42 13.393 -10.648 7.608 338 HB ILE 42 HB ILE 42 13.554 -13.664 7.850 339 HG12 ILE 42 2HG1 ILE 42 12.547 -11.552 9.784 340 HG13 ILE 42 1HG1 ILE 42 11.557 -12.729 8.926 341 HG21 ILE 42 1HG2 ILE 42 15.142 -13.269 9.685 342 HG22 ILE 42 2HG2 ILE 42 15.108 -11.540 9.341 343 HG23 ILE 42 3HG2 ILE 42 15.758 -12.664 8.148 344 HD11 ILE 42 3HD1 ILE 42 13.621 -13.330 11.036 345 HD12 ILE 42 1HD1 ILE 42 12.684 -14.537 10.152 346 HD13 ILE 42 2HD1 ILE 42 11.869 -13.396 11.221 347 HA PRO 43 HA PRO 43 14.719 -9.318 7.494 348 HB2 PRO 43 2HB PRO 43 16.109 -7.466 6.133 349 HB3 PRO 43 1HB PRO 43 16.923 -8.682 7.125 350 HG2 PRO 43 2HG PRO 43 16.487 -8.649 4.154 351 HG3 PRO 43 1HG PRO 43 17.966 -9.022 5.060 352 HD2 PRO 43 2HD PRO 43 16.295 -10.945 4.066 353 HD3 PRO 43 1HD PRO 43 17.290 -11.178 5.518 354 HA PRO 44 HA PRO 44 11.310 -7.050 5.677 355 HB2 PRO 44 2HB PRO 44 13.075 -4.616 5.744 356 HB3 PRO 44 1HB PRO 44 11.385 -4.794 6.239 357 HG2 PRO 44 2HG PRO 44 13.290 -4.769 8.076 358 HG3 PRO 44 1HG PRO 44 11.945 -5.919 8.207 359 HD2 PRO 44 2HD PRO 44 14.776 -6.400 7.392 360 HD3 PRO 44 1HD PRO 44 13.661 -7.459 8.282 361 HA PRO 45 HA PRO 45 12.417 -6.866 1.334 362 HB2 PRO 45 2HB PRO 45 9.979 -7.071 0.318 363 HB3 PRO 45 1HB PRO 45 10.640 -8.379 1.308 364 HG2 PRO 45 2HG PRO 45 8.675 -6.246 2.060 365 HG3 PRO 45 1HG PRO 45 8.672 -7.970 2.480 366 HD2 PRO 45 2HD PRO 45 9.623 -5.901 4.111 367 HD3 PRO 45 1HD PRO 45 9.994 -7.626 4.302 368 H LYS 46 H LYS 46 11.908 -5.652 -0.659 369 HA LYS 46 HA LYS 46 11.444 -2.815 -0.203 370 HB2 LYS 46 2HB LYS 46 13.249 -3.542 -1.719 371 HB3 LYS 46 1HB LYS 46 12.070 -4.345 -2.746 372 HG2 LYS 46 2HG LYS 46 12.701 -2.271 -3.762 373 HG3 LYS 46 1HG LYS 46 11.029 -2.151 -3.214 374 HD2 LYS 46 2HD LYS 46 11.767 -0.921 -1.223 375 HD3 LYS 46 1HD LYS 46 13.444 -1.053 -1.760 376 HE2 LYS 46 2HE LYS 46 12.877 0.226 -3.790 377 HE3 LYS 46 1HE LYS 46 11.216 0.376 -3.219 378 HZ1 LYS 46 3HZ LYS 46 13.622 1.466 -1.864 379 HZ2 LYS 46 1HZ LYS 46 12.038 1.590 -1.292 380 HZ3 LYS 46 2HZ LYS 46 12.482 2.357 -2.731 381 H LEU 47 H LEU 47 9.530 -1.800 -0.531 382 HA LEU 47 HA LEU 47 7.257 -3.398 -1.450 383 HB2 LEU 47 2HB LEU 47 7.320 -0.666 -0.163 384 HB3 LEU 47 1HB LEU 47 5.880 -1.616 -0.478 385 HG LEU 47 HG LEU 47 8.105 -2.425 1.407 386 HD11 LEU 47 1HD1 LEU 47 5.363 -1.313 1.996 387 HD12 LEU 47 2HD1 LEU 47 6.906 -0.503 2.273 388 HD13 LEU 47 3HD1 LEU 47 6.495 -1.950 3.192 389 HD21 LEU 47 3HD2 LEU 47 6.516 -4.152 2.152 390 HD22 LEU 47 1HD2 LEU 47 6.981 -4.355 0.462 391 HD23 LEU 47 2HD2 LEU 47 5.407 -3.669 0.867 392 H PHE 48 H PHE 48 6.037 -2.986 -3.221 393 HA PHE 48 HA PHE 48 6.536 -0.531 -4.789 394 HB2 PHE 48 2HB PHE 48 6.242 -3.349 -5.867 395 HB3 PHE 48 1HB PHE 48 6.248 -1.900 -6.867 396 HD1 PHE 48 HD1 PHE 48 8.308 -0.574 -7.114 397 HD2 PHE 48 HD2 PHE 48 8.280 -4.269 -4.988 398 HE1 PHE 48 HE1 PHE 48 10.758 -0.691 -7.281 399 HE2 PHE 48 HE2 PHE 48 10.728 -4.382 -5.155 400 HZ PHE 48 HZ PHE 48 11.972 -2.594 -6.298 401 H TRP 49 H TRP 49 4.686 0.607 -4.991 402 HA TRP 49 HA TRP 49 2.122 -0.853 -4.922 403 HB2 TRP 49 2HB TRP 49 2.863 1.939 -4.071 404 HB3 TRP 49 1HB TRP 49 1.190 1.507 -4.401 405 HD1 TRP 49 HD1 TRP 49 4.049 0.682 -1.949 406 HE1 TRP 49 HE1 TRP 49 3.009 -0.287 0.195 407 HE3 TRP 49 HE3 TRP 49 -0.815 0.332 -3.486 408 HZ2 TRP 49 HZ2 TRP 49 0.465 -1.102 1.115 409 HZ3 TRP 49 HZ3 TRP 49 -2.491 -0.555 -1.917 410 HH2 TRP 49 HH2 TRP 49 -1.861 -1.258 0.336 411 H LYS 50 H LYS 50 0.841 -0.876 -6.628 412 HA LYS 50 HA LYS 50 1.300 1.036 -8.842 413 HB2 LYS 50 2HB LYS 50 1.709 -1.236 -9.547 414 HB3 LYS 50 1HB LYS 50 0.196 -1.791 -8.838 415 HG2 LYS 50 2HG LYS 50 -0.935 -0.191 -10.518 416 HG3 LYS 50 1HG LYS 50 0.632 -0.158 -11.324 417 HD2 LYS 50 2HD LYS 50 -1.084 -2.590 -10.803 418 HD3 LYS 50 1HD LYS 50 -0.798 -1.817 -12.358 419 HE2 LYS 50 2HE LYS 50 1.332 -3.123 -10.666 420 HE3 LYS 50 1HE LYS 50 0.521 -3.886 -12.030 421 HZ1 LYS 50 3HZ LYS 50 2.278 -1.496 -12.117 422 HZ2 LYS 50 1HZ LYS 50 1.384 -2.066 -13.436 423 HZ3 LYS 50 2HZ LYS 50 2.598 -3.024 -12.761 424 H ARG 51 H ARG 51 -0.320 2.452 -9.270 425 HA ARG 51 HA ARG 51 -3.015 1.906 -8.178 426 HB2 ARG 51 2HB ARG 51 -1.946 3.941 -7.284 427 HB3 ARG 51 1HB ARG 51 -1.742 4.555 -8.922 428 HG2 ARG 51 2HG ARG 51 -4.284 4.395 -9.119 429 HG3 ARG 51 1HG ARG 51 -4.288 4.183 -7.366 430 HD2 ARG 51 2HD ARG 51 -4.640 6.495 -7.789 431 HD3 ARG 51 1HD ARG 51 -2.983 6.329 -7.205 432 HE ARG 51 HE ARG 51 -3.020 6.234 -10.030 433 HH11 ARG 51 1HH1 ARG 51 -3.376 8.439 -7.416 434 HH12 ARG 51 2HH1 ARG 51 -2.951 9.818 -8.365 435 HH21 ARG 51 1HH2 ARG 51 -2.455 7.989 -11.248 436 HH22 ARG 51 2HH2 ARG 51 -2.397 9.556 -10.517 437 H ASN 52 H ASN 52 -4.318 1.129 -9.746 438 HA ASN 52 HA ASN 52 -5.371 0.852 -11.751 439 HB2 ASN 52 2HB ASN 52 -6.354 2.916 -10.793 440 HB3 ASN 52 1HB ASN 52 -5.205 3.873 -11.722 441 HD21 ASN 52 1HD2 ASN 52 -6.967 4.905 -12.720 442 HD22 ASN 52 2HD2 ASN 52 -7.850 4.141 -13.992 443 H ASN 53 H ASN 53 -3.094 0.030 -12.445 444 HA ASN 53 HA ASN 53 -1.679 -0.375 -14.170 445 HB2 ASN 53 2HB ASN 53 -3.273 1.734 -15.645 446 HB3 ASN 53 1HB ASN 53 -2.106 0.637 -16.381 447 HD21 ASN 53 1HD2 ASN 53 -5.257 0.936 -14.982 448 HD22 ASN 53 2HD2 ASN 53 -5.841 -0.613 -15.469 449 H GLU 54 H GLU 54 -1.459 2.238 -12.331 450 HA GLU 54 HA GLU 54 0.886 3.330 -13.779 451 HB2 GLU 54 2HB GLU 54 -0.777 4.759 -11.689 452 HB3 GLU 54 1HB GLU 54 0.537 5.443 -12.636 453 HG2 GLU 54 2HG GLU 54 -0.810 5.126 -14.678 454 HG3 GLU 54 1HG GLU 54 -2.135 4.521 -13.681 455 H MET 55 H MET 55 2.779 3.789 -12.563 456 HA MET 55 HA MET 55 3.142 2.304 -10.102 457 HB2 MET 55 2HB MET 55 4.912 2.441 -11.852 458 HB3 MET 55 1HB MET 55 5.046 4.166 -11.553 459 HG2 MET 55 2HG MET 55 6.757 3.502 -10.249 460 HG3 MET 55 1HG MET 55 5.478 3.272 -9.064 461 HE1 MET 55 3HE MET 55 4.929 -0.627 -9.237 462 HE2 MET 55 1HE MET 55 4.038 0.604 -10.133 463 HE3 MET 55 2HE MET 55 4.452 0.870 -8.439 464 H VAL 56 H VAL 56 2.890 3.117 -8.080 465 HA VAL 56 HA VAL 56 2.114 5.869 -7.694 466 HB VAL 56 HB VAL 56 2.585 3.697 -5.630 467 HG11 VAL 56 1HG1 VAL 56 1.140 6.343 -5.377 468 HG12 VAL 56 2HG1 VAL 56 2.691 5.932 -4.645 469 HG13 VAL 56 3HG1 VAL 56 1.226 5.092 -4.137 470 HG21 VAL 56 3HG2 VAL 56 0.833 3.081 -7.217 471 HG22 VAL 56 1HG2 VAL 56 0.015 4.619 -6.932 472 HG23 VAL 56 2HG2 VAL 56 0.146 3.433 -5.633 473 H GLN 57 H GLN 57 3.244 7.525 -6.744 474 HA GLN 57 HA GLN 57 6.016 6.972 -5.873 475 HB2 GLN 57 2HB GLN 57 4.960 9.469 -7.230 476 HB3 GLN 57 1HB GLN 57 6.600 9.257 -6.630 477 HG2 GLN 57 2HG GLN 57 6.866 7.351 -8.212 478 HG3 GLN 57 1HG GLN 57 5.277 7.736 -8.871 479 HE21 GLN 57 1HE2 GLN 57 5.017 9.660 -10.047 480 HE22 GLN 57 2HE2 GLN 57 6.369 10.492 -10.723 481 H PHE 58 H PHE 58 6.482 7.480 -3.821 482 HA PHE 58 HA PHE 58 4.414 8.786 -2.204 483 HB2 PHE 58 2HB PHE 58 6.907 7.423 -1.174 484 HB3 PHE 58 1HB PHE 58 5.389 7.701 -0.327 485 HD1 PHE 58 HD1 PHE 58 3.334 6.410 -1.073 486 HD2 PHE 58 HD2 PHE 58 7.270 5.454 -2.397 487 HE1 PHE 58 HE1 PHE 58 2.565 4.173 -1.750 488 HE2 PHE 58 HE2 PHE 58 6.503 3.219 -3.071 489 HZ PHE 58 HZ PHE 58 4.150 2.575 -2.748 490 H ASN 59 H ASN 59 6.461 10.252 -3.942 491 HA ASN 59 HA ASN 59 8.242 11.528 -2.034 492 HB2 ASN 59 2HB ASN 59 9.183 12.670 -3.951 493 HB3 ASN 59 1HB ASN 59 8.960 10.968 -4.347 494 HD21 ASN 59 1HD2 ASN 59 7.857 14.204 -4.930 495 HD22 ASN 59 2HD2 ASN 59 6.918 13.838 -6.332 496 H THR 60 H THR 60 5.071 11.995 -2.557 497 HA THR 60 HA THR 60 5.173 14.944 -2.578 498 HB THR 60 HB THR 60 3.809 14.196 -4.372 499 HG1 THR 60 HG1 THR 60 2.833 15.911 -3.227 500 HG21 THR 60 3HG2 THR 60 1.923 12.653 -4.102 501 HG22 THR 60 1HG2 THR 60 2.327 12.451 -2.398 502 HG23 THR 60 2HG2 THR 60 3.444 11.890 -3.643 503 H ASP 61 H ASP 61 3.631 16.111 -1.243 504 HA ASP 61 HA ASP 61 3.758 15.286 1.480 505 HB2 ASP 61 2HB ASP 61 3.901 17.645 0.712 506 HB3 ASP 61 1HB ASP 61 2.209 17.576 0.238 507 H ARG 62 H ARG 62 1.447 14.747 -0.994 508 HA ARG 62 HA ARG 62 -0.786 14.283 0.800 509 HB2 ARG 62 2HB ARG 62 -0.445 13.812 -2.168 510 HB3 ARG 62 1HB ARG 62 -1.931 13.472 -1.289 511 HG2 ARG 62 2HG ARG 62 -2.071 15.857 -0.656 512 HG3 ARG 62 1HG ARG 62 -0.627 16.175 -1.619 513 HD2 ARG 62 2HD ARG 62 -1.789 15.412 -3.631 514 HD3 ARG 62 1HD ARG 62 -3.225 15.047 -2.673 515 HE ARG 62 HE ARG 62 -2.476 17.753 -2.336 516 HH11 ARG 62 1HH1 ARG 62 -3.930 15.633 -4.637 517 HH12 ARG 62 2HH1 ARG 62 -4.867 16.892 -5.357 518 HH21 ARG 62 1HH2 ARG 62 -3.684 19.345 -3.260 519 HH22 ARG 62 2HH2 ARG 62 -4.739 18.978 -4.583 520 H ILE 63 H ILE 63 1.720 12.348 -0.702 521 HA ILE 63 HA ILE 63 0.323 9.879 0.140 522 HB ILE 63 HB ILE 63 2.354 10.134 -2.091 523 HG12 ILE 63 2HG1 ILE 63 0.246 11.276 -2.667 524 HG13 ILE 63 1HG1 ILE 63 0.472 9.829 -3.640 525 HG21 ILE 63 1HG2 ILE 63 1.678 7.853 -2.676 526 HG22 ILE 63 2HG2 ILE 63 0.597 7.814 -1.281 527 HG23 ILE 63 3HG2 ILE 63 2.340 7.932 -1.043 528 HD11 ILE 63 3HD1 ILE 63 -1.835 10.090 -2.911 529 HD12 ILE 63 1HD1 ILE 63 -1.311 10.061 -1.227 530 HD13 ILE 63 2HD1 ILE 63 -1.112 8.629 -2.237 531 H SER 64 H SER 64 1.389 8.415 1.402 532 HA SER 64 HA SER 64 4.273 8.534 1.741 533 HB2 SER 64 2HB SER 64 4.172 8.804 4.200 534 HB3 SER 64 1HB SER 64 3.538 10.220 3.364 535 HG SER 64 HG SER 64 1.411 9.005 3.670 536 H LEU 65 H LEU 65 5.162 6.671 2.638 537 HA LEU 65 HA LEU 65 3.348 4.475 3.382 538 HB2 LEU 65 2HB LEU 65 3.796 4.185 1.008 539 HB3 LEU 65 1HB LEU 65 5.520 4.340 1.281 540 HG LEU 65 HG LEU 65 5.415 2.228 2.657 541 HD11 LEU 65 1HD1 LEU 65 3.056 2.232 3.216 542 HD12 LEU 65 2HD1 LEU 65 3.467 0.760 2.340 543 HD13 LEU 65 3HD1 LEU 65 2.624 2.069 1.512 544 HD21 LEU 65 3HD2 LEU 65 5.339 0.738 0.728 545 HD22 LEU 65 1HD2 LEU 65 6.211 2.221 0.348 546 HD23 LEU 65 2HD2 LEU 65 4.558 1.998 -0.230 547 H TYR 66 H TYR 66 4.098 3.300 5.093 548 HA TYR 66 HA TYR 66 6.988 3.160 5.550 549 HB2 TYR 66 2HB TYR 66 6.846 3.731 7.890 550 HB3 TYR 66 1HB TYR 66 6.156 5.038 6.940 551 HD1 TYR 66 HD2 TYR 66 3.674 5.365 6.900 552 HD2 TYR 66 HD1 TYR 66 5.534 2.549 9.503 553 HE1 TYR 66 HE2 TYR 66 1.641 5.300 8.280 554 HE2 TYR 66 HE1 TYR 66 3.505 2.478 10.887 555 HH TYR 66 HH TYR 66 1.551 3.920 11.373 556 H GLN 67 H GLN 67 7.686 1.368 6.774 557 HA GLN 67 HA GLN 67 5.618 -0.627 7.432 558 HB2 GLN 67 2HB GLN 67 7.193 -2.417 6.794 559 HB3 GLN 67 1HB GLN 67 6.761 -1.393 5.433 560 HG2 GLN 67 2HG GLN 67 8.883 -0.265 5.535 561 HG3 GLN 67 1HG GLN 67 9.312 -1.120 7.017 562 HE21 GLN 67 1HE2 GLN 67 8.946 -1.378 3.570 563 HE22 GLN 67 2HE2 GLN 67 9.759 -2.889 3.402 564 H ASP 68 H ASP 68 5.796 -1.634 9.376 565 HA ASP 68 HA ASP 68 7.746 -0.496 11.237 566 HB2 ASP 68 2HB ASP 68 5.342 -0.371 11.797 567 HB3 ASP 68 1HB ASP 68 5.250 -2.130 11.775 568 H ASN 69 H ASN 69 8.640 -1.909 12.947 569 HA ASN 69 HA ASN 69 10.233 -3.960 11.953 570 HB2 ASN 69 2HB ASN 69 9.427 -3.632 14.850 571 HB3 ASN 69 1HB ASN 69 10.915 -4.345 14.230 572 HD21 ASN 69 1HD2 ASN 69 9.206 -1.428 14.912 573 HD22 ASN 69 2HD2 ASN 69 10.527 -0.347 14.649 574 H THR 70 H THR 70 7.033 -4.163 13.417 575 HA THR 70 HA THR 70 7.076 -7.036 13.697 576 HB THR 70 HB THR 70 5.651 -5.590 15.149 577 HG1 THR 70 HG1 THR 70 3.606 -7.010 14.321 578 HG21 THR 70 3HG2 THR 70 3.962 -5.264 12.657 579 HG22 THR 70 1HG2 THR 70 4.883 -3.987 13.453 580 HG23 THR 70 2HG2 THR 70 3.521 -4.739 14.282 581 H GLY 71 H GLY 71 7.107 -5.265 10.978 582 HA2 GLY 71 2HA GLY 71 6.812 -5.994 8.788 583 HA3 GLY 71 1HA GLY 71 5.926 -7.385 9.388 584 H ARG 72 H ARG 72 5.023 -4.178 10.397 585 HA ARG 72 HA ARG 72 2.435 -4.493 9.088 586 HB2 ARG 72 2HB ARG 72 2.533 -3.804 11.461 587 HB3 ARG 72 1HB ARG 72 3.411 -2.353 10.998 588 HG2 ARG 72 2HG ARG 72 1.426 -1.691 9.616 589 HG3 ARG 72 1HG ARG 72 0.563 -3.063 10.307 590 HD2 ARG 72 2HD ARG 72 0.882 -2.139 12.552 591 HD3 ARG 72 1HD ARG 72 1.763 -0.771 11.870 592 HE ARG 72 HE ARG 72 -1.031 -1.255 11.081 593 HH11 ARG 72 1HH1 ARG 72 1.340 0.747 12.579 594 HH12 ARG 72 2HH1 ARG 72 0.273 2.094 12.729 595 HH21 ARG 72 1HH2 ARG 72 -2.397 0.476 11.288 596 HH22 ARG 72 2HH2 ARG 72 -1.826 1.940 12.019 597 H VAL 73 H VAL 73 2.308 -3.819 7.026 598 HA VAL 73 HA VAL 73 3.804 -1.457 6.132 599 HB VAL 73 HB VAL 73 2.120 -3.437 4.572 600 HG11 VAL 73 1HG1 VAL 73 3.853 -1.169 3.575 601 HG12 VAL 73 2HG1 VAL 73 2.095 -1.265 3.479 602 HG13 VAL 73 3HG1 VAL 73 3.090 -2.394 2.559 603 HG21 VAL 73 3HG2 VAL 73 4.280 -4.230 3.694 604 HG22 VAL 73 1HG2 VAL 73 4.165 -4.436 5.442 605 HG23 VAL 73 2HG2 VAL 73 5.122 -3.115 4.770 606 H THR 74 H THR 74 2.844 0.505 5.931 607 HA THR 74 HA THR 74 -0.104 0.616 5.802 608 HB THR 74 HB THR 74 1.580 2.379 7.599 609 HG1 THR 74 HG1 THR 74 0.386 -0.068 7.992 610 HG21 THR 74 3HG2 THR 74 -0.416 3.517 6.751 611 HG22 THR 74 1HG2 THR 74 -0.597 3.149 8.467 612 HG23 THR 74 2HG2 THR 74 -1.423 2.161 7.261 613 H LEU 75 H LEU 75 -0.667 1.635 4.028 614 HA LEU 75 HA LEU 75 0.940 3.848 2.964 615 HB2 LEU 75 2HB LEU 75 0.316 2.091 1.381 616 HB3 LEU 75 1HB LEU 75 -1.379 2.307 1.775 617 HG LEU 75 HG LEU 75 -1.266 4.613 0.831 618 HD11 LEU 75 1HD1 LEU 75 0.641 5.256 -0.538 619 HD12 LEU 75 2HD1 LEU 75 1.492 3.783 -0.067 620 HD13 LEU 75 3HD1 LEU 75 1.120 5.015 1.141 621 HD21 LEU 75 3HD2 LEU 75 -0.432 2.416 -1.067 622 HD22 LEU 75 1HD2 LEU 75 -1.228 3.928 -1.508 623 HD23 LEU 75 2HD2 LEU 75 -2.077 2.742 -0.518 624 H LEU 76 H LEU 76 0.353 5.890 3.368 625 HA LEU 76 HA LEU 76 -2.423 6.444 4.227 626 HB2 LEU 76 2HB LEU 76 0.120 7.973 4.837 627 HB3 LEU 76 1HB LEU 76 -1.488 8.429 5.376 628 HG LEU 76 HG LEU 76 -0.019 5.907 6.183 629 HD11 LEU 76 1HD1 LEU 76 0.170 6.946 8.381 630 HD12 LEU 76 2HD1 LEU 76 -0.595 8.412 7.769 631 HD13 LEU 76 3HD1 LEU 76 0.981 7.918 7.152 632 HD21 LEU 76 3HD2 LEU 76 -1.847 5.609 7.791 633 HD22 LEU 76 1HD2 LEU 76 -2.439 5.581 6.130 634 HD23 LEU 76 2HD2 LEU 76 -2.668 7.021 7.122 635 H ILE 77 H ILE 77 -3.588 7.298 2.637 636 HA ILE 77 HA ILE 77 -2.306 9.113 0.688 637 HB ILE 77 HB ILE 77 -4.888 7.543 0.469 638 HG12 ILE 77 2HG1 ILE 77 -2.225 7.178 -0.936 639 HG13 ILE 77 1HG1 ILE 77 -2.841 6.158 0.357 640 HG21 ILE 77 1HG2 ILE 77 -5.039 9.651 -0.752 641 HG22 ILE 77 2HG2 ILE 77 -4.941 8.290 -1.868 642 HG23 ILE 77 3HG2 ILE 77 -3.522 9.294 -1.577 643 HD11 ILE 77 3HD1 ILE 77 -3.130 5.106 -1.801 644 HD12 ILE 77 1HD1 ILE 77 -4.066 6.487 -2.371 645 HD13 ILE 77 2HD1 ILE 77 -4.695 5.470 -1.073 646 H LYS 78 H LYS 78 -2.630 11.211 1.108 647 HA LYS 78 HA LYS 78 -5.088 12.030 2.524 648 HB2 LYS 78 2HB LYS 78 -2.377 13.379 2.514 649 HB3 LYS 78 1HB LYS 78 -3.795 13.928 3.399 650 HG2 LYS 78 2HG LYS 78 -3.758 11.822 4.697 651 HG3 LYS 78 1HG LYS 78 -2.276 11.363 3.854 652 HD2 LYS 78 2HD LYS 78 -1.145 13.342 4.752 653 HD3 LYS 78 1HD LYS 78 -2.630 13.830 5.571 654 HE2 LYS 78 2HE LYS 78 -2.552 11.673 6.839 655 HE3 LYS 78 1HE LYS 78 -0.975 11.361 6.115 656 HZ1 LYS 78 3HZ LYS 78 -0.140 13.384 7.140 657 HZ2 LYS 78 1HZ LYS 78 -0.769 12.335 8.311 658 HZ3 LYS 78 2HZ LYS 78 -1.657 13.689 7.825 659 H ASP 79 H ASP 79 -6.236 13.818 1.860 660 HA ASP 79 HA ASP 79 -7.095 15.410 0.496 661 HB2 ASP 79 2HB ASP 79 -4.684 16.285 1.162 662 HB3 ASP 79 1HB ASP 79 -4.362 16.065 -0.554 663 H VAL 80 H VAL 80 -7.159 12.853 -0.568 664 HA VAL 80 HA VAL 80 -6.174 12.891 -3.302 665 HB VAL 80 HB VAL 80 -6.145 10.846 -1.817 666 HG11 VAL 80 1HG1 VAL 80 -9.099 10.791 -2.424 667 HG12 VAL 80 2HG1 VAL 80 -8.371 11.075 -0.841 668 HG13 VAL 80 3HG1 VAL 80 -8.179 9.511 -1.633 669 HG21 VAL 80 3HG2 VAL 80 -7.561 10.561 -4.469 670 HG22 VAL 80 1HG2 VAL 80 -6.708 9.279 -3.605 671 HG23 VAL 80 2HG2 VAL 80 -5.817 10.670 -4.223 672 H ASN 81 H ASN 81 -7.476 12.819 -5.186 673 HA ASN 81 HA ASN 81 -10.326 13.491 -4.808 674 HB2 ASN 81 2HB ASN 81 -10.127 14.864 -6.921 675 HB3 ASN 81 1HB ASN 81 -9.273 15.506 -5.522 676 HD21 ASN 81 1HD2 ASN 81 -8.957 14.156 -8.683 677 HD22 ASN 81 2HD2 ASN 81 -7.260 14.422 -8.846 678 H LYS 82 H LYS 82 -11.437 13.308 -7.168 679 HA LYS 82 HA LYS 82 -11.923 10.608 -7.485 680 HB2 LYS 82 2HB LYS 82 -12.369 12.856 -9.459 681 HB3 LYS 82 1HB LYS 82 -13.060 11.247 -9.626 682 HG2 LYS 82 2HG LYS 82 -13.547 13.051 -7.256 683 HG3 LYS 82 1HG LYS 82 -14.611 12.948 -8.660 684 HD2 LYS 82 2HD LYS 82 -13.866 10.570 -6.950 685 HD3 LYS 82 1HD LYS 82 -15.305 11.555 -6.677 686 HE2 LYS 82 2HE LYS 82 -16.199 10.976 -8.810 687 HE3 LYS 82 1HE LYS 82 -14.699 10.181 -9.295 688 HZ1 LYS 82 3HZ LYS 82 -16.339 8.552 -8.654 689 HZ2 LYS 82 1HZ LYS 82 -16.551 9.283 -7.146 690 HZ3 LYS 82 2HZ LYS 82 -15.084 8.537 -7.525 691 H LYS 83 H LYS 83 -9.823 12.620 -9.555 692 HA LYS 83 HA LYS 83 -9.202 10.686 -11.473 693 HB2 LYS 83 2HB LYS 83 -7.568 13.030 -10.486 694 HB3 LYS 83 1HB LYS 83 -7.139 12.066 -11.895 695 HG2 LYS 83 2HG LYS 83 -9.670 13.677 -11.559 696 HG3 LYS 83 1HG LYS 83 -8.271 14.127 -12.539 697 HD2 LYS 83 2HD LYS 83 -8.617 12.136 -13.939 698 HD3 LYS 83 1HD LYS 83 -10.016 11.689 -12.959 699 HE2 LYS 83 2HE LYS 83 -11.127 13.784 -13.612 700 HE3 LYS 83 1HE LYS 83 -9.734 14.207 -14.607 701 HZ1 LYS 83 3HZ LYS 83 -11.521 13.237 -15.915 702 HZ2 LYS 83 1HZ LYS 83 -11.458 11.822 -14.994 703 HZ3 LYS 83 2HZ LYS 83 -10.143 12.258 -15.963 704 H ASP 84 H ASP 84 -8.020 10.943 -8.213 705 HA ASP 84 HA ASP 84 -5.717 9.236 -8.778 706 HB2 ASP 84 2HB ASP 84 -6.584 10.619 -6.231 707 HB3 ASP 84 1HB ASP 84 -5.124 9.641 -6.398 708 H ALA 85 H ALA 85 -8.911 8.626 -8.142 709 HA ALA 85 HA ALA 85 -8.524 6.409 -6.310 710 HB1 ALA 85 3HB ALA 85 -10.912 5.989 -6.628 711 HB2 ALA 85 1HB ALA 85 -10.956 7.173 -7.936 712 HB3 ALA 85 2HB ALA 85 -10.611 7.692 -6.286 713 H GLY 86 H GLY 86 -8.584 4.204 -6.811 714 HA2 GLY 86 2HA GLY 86 -9.204 3.093 -9.307 715 HA3 GLY 86 1HA GLY 86 -7.479 3.424 -9.293 716 H TRP 87 H TRP 87 -7.761 0.954 -9.668 717 HA TRP 87 HA TRP 87 -7.818 -0.529 -7.153 718 HB2 TRP 87 2HB TRP 87 -7.684 -1.273 -10.044 719 HB3 TRP 87 1HB TRP 87 -7.048 -2.417 -8.866 720 HD1 TRP 87 HD1 TRP 87 -10.350 -0.783 -9.962 721 HE1 TRP 87 HE1 TRP 87 -12.293 -2.169 -8.999 722 HE3 TRP 87 HE3 TRP 87 -7.680 -3.978 -7.001 723 HZ2 TRP 87 HZ2 TRP 87 -12.650 -4.331 -7.224 724 HZ3 TRP 87 HZ3 TRP 87 -8.895 -5.675 -5.697 725 HH2 TRP 87 HH2 TRP 87 -11.331 -5.849 -5.807 726 H TYR 88 H TYR 88 -6.108 -0.848 -5.937 727 HA TYR 88 HA TYR 88 -3.445 -0.153 -6.918 728 HB2 TYR 88 2HB TYR 88 -4.555 -0.549 -4.133 729 HB3 TYR 88 1HB TYR 88 -2.838 -0.318 -4.451 730 HD1 TYR 88 HD1 TYR 88 -6.157 1.301 -5.047 731 HD2 TYR 88 HD2 TYR 88 -1.966 1.846 -4.521 732 HE1 TYR 88 HE1 TYR 88 -6.483 3.736 -5.005 733 HE2 TYR 88 HE2 TYR 88 -2.285 4.282 -4.475 734 HH TYR 88 HH TYR 88 -5.345 5.737 -4.172 735 H THR 89 H THR 89 -1.629 -1.495 -6.590 736 HA THR 89 HA THR 89 -2.112 -4.284 -5.796 737 HB THR 89 HB THR 89 -0.590 -3.539 -8.315 738 HG1 THR 89 HG1 THR 89 -3.237 -3.983 -7.883 739 HG21 THR 89 3HG2 THR 89 0.287 -5.554 -7.209 740 HG22 THR 89 1HG2 THR 89 -0.524 -5.963 -8.723 741 HG23 THR 89 2HG2 THR 89 -1.334 -6.249 -7.181 742 H VAL 90 H VAL 90 -0.766 -4.650 -4.144 743 HA VAL 90 HA VAL 90 1.737 -3.115 -3.969 744 HB VAL 90 HB VAL 90 0.315 -2.822 -2.054 745 HG11 VAL 90 1HG1 VAL 90 0.347 -5.829 -1.745 746 HG12 VAL 90 2HG1 VAL 90 -1.028 -4.846 -2.247 747 HG13 VAL 90 3HG1 VAL 90 -0.380 -4.686 -0.615 748 HG21 VAL 90 3HG2 VAL 90 2.639 -4.639 -1.369 749 HG22 VAL 90 1HG2 VAL 90 1.816 -3.561 -0.240 750 HG23 VAL 90 2HG2 VAL 90 2.714 -2.894 -1.604 751 H SER 91 H SER 91 3.689 -4.043 -4.049 752 HA SER 91 HA SER 91 3.893 -6.991 -3.917 753 HB2 SER 91 2HB SER 91 5.491 -5.098 -5.670 754 HB3 SER 91 1HB SER 91 5.763 -6.836 -5.540 755 HG SER 91 HG SER 91 3.745 -7.197 -6.440 756 H ALA 92 H ALA 92 5.660 -7.860 -2.853 757 HA ALA 92 HA ALA 92 7.564 -5.998 -1.587 758 HB1 ALA 92 3HB ALA 92 7.453 -7.280 0.493 759 HB2 ALA 92 1HB ALA 92 6.214 -8.325 -0.204 760 HB3 ALA 92 2HB ALA 92 5.872 -6.617 0.079 761 H VAL 93 H VAL 93 9.546 -6.510 -2.316 762 HA VAL 93 HA VAL 93 10.106 -9.337 -2.954 763 HB VAL 93 HB VAL 93 10.220 -7.900 -4.921 764 HG11 VAL 93 1HG1 VAL 93 12.430 -6.426 -3.487 765 HG12 VAL 93 2HG1 VAL 93 10.823 -5.794 -3.836 766 HG13 VAL 93 3HG1 VAL 93 11.926 -6.171 -5.159 767 HG21 VAL 93 3HG2 VAL 93 11.685 -9.864 -4.772 768 HG22 VAL 93 1HG2 VAL 93 12.955 -8.865 -4.067 769 HG23 VAL 93 2HG2 VAL 93 12.423 -8.576 -5.724 770 H ASN 94 H ASN 94 11.292 -10.343 -1.562 771 HA ASN 94 HA ASN 94 13.441 -8.944 -0.101 772 HB2 ASN 94 2HB ASN 94 11.919 -9.782 1.492 773 HB3 ASN 94 1HB ASN 94 11.656 -11.270 0.597 774 HD21 ASN 94 1HD2 ASN 94 13.837 -9.564 2.719 775 HD22 ASN 94 2HD2 ASN 94 14.714 -10.961 3.220 776 H GLU 95 H GLU 95 15.423 -10.252 0.300 777 HA GLU 95 HA GLU 95 16.533 -11.238 -2.061 778 HB2 GLU 95 2HB GLU 95 18.386 -12.069 -0.594 779 HB3 GLU 95 1HB GLU 95 17.951 -10.385 -0.333 780 HG2 GLU 95 2HG GLU 95 16.621 -11.066 1.636 781 HG3 GLU 95 1HG GLU 95 17.158 -12.728 1.395 782 H ALA 96 H ALA 96 15.069 -13.019 0.621 783 HA ALA 96 HA ALA 96 15.672 -15.620 -0.377 784 HB1 ALA 96 3HB ALA 96 13.600 -14.757 1.640 785 HB2 ALA 96 1HB ALA 96 15.269 -15.210 1.989 786 HB3 ALA 96 2HB ALA 96 14.141 -16.414 1.360 787 H GLY 97 H GLY 97 12.840 -13.479 -0.728 788 HA2 GLY 97 2HA GLY 97 11.924 -14.893 -3.045 789 HA3 GLY 97 1HA GLY 97 10.941 -15.281 -1.646 790 H VAL 98 H VAL 98 9.349 -14.315 -3.320 791 HA VAL 98 HA VAL 98 8.985 -11.459 -2.712 792 HB VAL 98 HB VAL 98 10.088 -11.521 -4.898 793 HG11 VAL 98 1HG1 VAL 98 7.762 -13.239 -5.782 794 HG12 VAL 98 2HG1 VAL 98 9.445 -13.745 -5.629 795 HG13 VAL 98 3HG1 VAL 98 8.991 -12.552 -6.846 796 HG21 VAL 98 3HG2 VAL 98 8.448 -10.230 -6.193 797 HG22 VAL 98 1HG2 VAL 98 8.448 -9.754 -4.496 798 HG23 VAL 98 2HG2 VAL 98 7.161 -10.785 -5.121 799 H THR 99 H THR 99 6.828 -10.745 -2.676 800 HA THR 99 HA THR 99 4.688 -12.622 -3.397 801 HB THR 99 HB THR 99 5.029 -13.081 -1.029 802 HG1 THR 99 HG1 THR 99 2.894 -13.233 -1.393 803 HG21 THR 99 3HG2 THR 99 4.720 -11.351 0.676 804 HG22 THR 99 1HG2 THR 99 4.533 -10.128 -0.580 805 HG23 THR 99 2HG2 THR 99 6.076 -10.956 -0.379 806 H THR 100 H THR 100 2.730 -11.637 -3.994 807 HA THR 100 HA THR 100 2.587 -8.692 -3.807 808 HB THR 100 HB THR 100 2.022 -10.310 -6.307 809 HG1 THR 100 HG1 THR 100 4.283 -9.632 -5.613 810 HG21 THR 100 3HG2 THR 100 0.405 -8.486 -6.091 811 HG22 THR 100 1HG2 THR 100 1.558 -8.143 -7.383 812 HG23 THR 100 2HG2 THR 100 1.717 -7.339 -5.822 813 H CYS 101 H CYS 101 0.496 -7.796 -3.661 814 HA CYS 101 HA CYS 101 -1.814 -9.602 -3.679 815 HB2 CYS 101 2HB CYS 101 -1.072 -9.578 -1.340 816 HB3 CYS 101 1HB CYS 101 -1.127 -7.819 -1.326 817 HG CYS 101 HG CYS 101 -3.474 -9.903 -0.538 818 H ASN 102 H ASN 102 -3.909 -8.306 -3.383 819 HA ASN 102 HA ASN 102 -3.687 -5.889 -5.070 820 HB2 ASN 102 2HB ASN 102 -6.004 -7.824 -4.798 821 HB3 ASN 102 1HB ASN 102 -5.987 -6.396 -5.827 822 HD21 ASN 102 1HD2 ASN 102 -6.252 -7.547 -7.715 823 HD22 ASN 102 2HD2 ASN 102 -5.031 -8.568 -8.375 824 H THR 103 H THR 103 -5.054 -4.106 -4.698 825 HA THR 103 HA THR 103 -6.577 -3.980 -2.195 826 HB THR 103 HB THR 103 -4.435 -1.934 -2.864 827 HG1 THR 103 HG1 THR 103 -4.362 -4.282 -1.403 828 HG21 THR 103 3HG2 THR 103 -6.339 -0.980 -1.651 829 HG22 THR 103 1HG2 THR 103 -4.909 -1.045 -0.619 830 HG23 THR 103 2HG2 THR 103 -6.196 -2.234 -0.419 831 H ARG 104 H ARG 104 -8.234 -2.356 -2.211 832 HA ARG 104 HA ARG 104 -8.477 -0.833 -4.742 833 HB2 ARG 104 2HB ARG 104 -10.133 -2.597 -4.773 834 HB3 ARG 104 1HB ARG 104 -10.695 -2.160 -3.164 835 HG2 ARG 104 2HG ARG 104 -11.495 -0.009 -4.017 836 HG3 ARG 104 1HG ARG 104 -10.914 -0.429 -5.629 837 HD2 ARG 104 2HD ARG 104 -12.495 -2.239 -5.786 838 HD3 ARG 104 1HD ARG 104 -12.980 -2.017 -4.103 839 HE ARG 104 HE ARG 104 -13.588 0.361 -5.062 840 HH11 ARG 104 1HH1 ARG 104 -14.179 -2.727 -6.489 841 HH12 ARG 104 2HH1 ARG 104 -15.594 -2.182 -7.314 842 HH21 ARG 104 1HH2 ARG 104 -15.372 1.036 -6.128 843 HH22 ARG 104 2HH2 ARG 104 -16.271 -0.080 -7.106 844 H LEU 105 H LEU 105 -9.107 1.295 -4.643 845 HA LEU 105 HA LEU 105 -10.033 2.371 -2.057 846 HB2 LEU 105 2HB LEU 105 -7.672 2.952 -2.240 847 HB3 LEU 105 1HB LEU 105 -7.933 3.621 -3.840 848 HG LEU 105 HG LEU 105 -9.372 5.386 -2.853 849 HD11 LEU 105 1HD1 LEU 105 -10.152 4.195 -0.878 850 HD12 LEU 105 2HD1 LEU 105 -9.390 5.719 -0.427 851 HD13 LEU 105 3HD1 LEU 105 -8.518 4.201 -0.211 852 HD21 LEU 105 3HD2 LEU 105 -6.609 5.202 -1.646 853 HD22 LEU 105 1HD2 LEU 105 -7.569 6.673 -1.808 854 HD23 LEU 105 2HD2 LEU 105 -7.003 5.825 -3.248 855 H ASP 106 H ASP 106 -11.768 3.722 -2.215 856 HA ASP 106 HA ASP 106 -12.553 4.624 -4.922 857 HB2 ASP 106 2HB ASP 106 -14.323 3.843 -2.591 858 HB3 ASP 106 1HB ASP 106 -14.904 4.524 -4.107 859 H VAL 107 H VAL 107 -13.261 6.708 -5.207 860 HA VAL 107 HA VAL 107 -13.332 8.486 -2.848 861 HB VAL 107 HB VAL 107 -12.148 9.186 -5.557 862 HG11 VAL 107 1HG1 VAL 107 -11.551 11.337 -4.529 863 HG12 VAL 107 2HG1 VAL 107 -12.401 10.871 -3.056 864 HG13 VAL 107 3HG1 VAL 107 -13.299 11.100 -4.557 865 HG21 VAL 107 3HG2 VAL 107 -10.821 8.834 -2.861 866 HG22 VAL 107 1HG2 VAL 107 -10.024 9.410 -4.325 867 HG23 VAL 107 2HG2 VAL 107 -10.655 7.765 -4.254 868 H THR 108 H THR 108 -14.904 10.069 -2.852 869 HA THR 108 HA THR 108 -16.902 9.955 -5.029 870 HB THR 108 HB THR 108 -17.372 10.526 -2.085 871 HG1 THR 108 HG1 THR 108 -18.234 8.516 -1.989 872 HG21 THR 108 3HG2 THR 108 -19.754 10.534 -2.632 873 HG22 THR 108 1HG2 THR 108 -19.379 10.292 -4.338 874 HG23 THR 108 2HG2 THR 108 -18.912 11.794 -3.537 875 H ALA 109 H ALA 109 -17.770 11.904 -5.772 876 HA ALA 109 HA ALA 109 -15.997 14.144 -5.582 877 HB1 ALA 109 3HB ALA 109 -18.640 13.916 -7.024 878 HB2 ALA 109 1HB ALA 109 -17.057 13.527 -7.702 879 HB3 ALA 109 2HB ALA 109 -17.438 15.189 -7.247 880 H ARG 110 H ARG 110 -16.198 15.990 -4.467 881 HA ARG 110 HA ARG 110 -18.132 16.082 -2.337 882 HB2 ARG 110 2HB ARG 110 -15.809 17.802 -3.125 883 HB3 ARG 110 1HB ARG 110 -16.983 18.417 -1.969 884 HG2 ARG 110 2HG ARG 110 -16.567 16.263 -0.658 885 HG3 ARG 110 1HG ARG 110 -15.155 16.048 -1.698 886 HD2 ARG 110 2HD ARG 110 -14.225 18.144 -0.958 887 HD3 ARG 110 1HD ARG 110 -15.693 18.530 -0.060 888 HE ARG 110 HE ARG 110 -14.073 16.189 0.670 889 HH11 ARG 110 1HH1 ARG 110 -15.455 19.238 1.460 890 HH12 ARG 110 2HH1 ARG 110 -15.068 19.109 3.136 891 HH21 ARG 110 1HH2 ARG 110 -13.601 16.008 2.832 892 HH22 ARG 110 2HH2 ARG 110 -14.011 17.303 3.907 893 HA PRO 111 HA PRO 111 -20.969 18.916 -4.390 894 HB2 PRO 111 2HB PRO 111 -22.816 19.053 -2.456 895 HB3 PRO 111 1HB PRO 111 -22.598 17.575 -3.402 896 HG2 PRO 111 2HG PRO 111 -21.619 18.221 -0.643 897 HG3 PRO 111 1HG PRO 111 -22.326 16.714 -1.253 898 HD2 PRO 111 2HD PRO 111 -19.611 17.166 -0.958 899 HD3 PRO 111 1HD PRO 111 -20.315 15.963 -2.056 900 H ASN 112 H ASN 112 -18.980 19.470 -1.707 901 HA ASN 112 HA ASN 112 -19.343 22.347 -1.833 902 HB2 ASN 112 2HB ASN 112 -21.059 21.711 -0.212 903 HB3 ASN 112 1HB ASN 112 -19.876 20.812 0.728 904 HD21 ASN 112 1HD2 ASN 112 -20.257 22.021 2.568 905 HD22 ASN 112 2HD2 ASN 112 -19.734 23.662 2.733 906 H GLN 113 H GLN 113 -17.553 23.486 -1.227 907 HA GLN 113 HA GLN 113 -15.402 22.175 0.280 908 HB2 GLN 113 2HB GLN 113 -14.754 21.877 -2.048 909 HB3 GLN 113 1HB GLN 113 -15.046 23.577 -2.385 910 HG2 GLN 113 2HG GLN 113 -13.174 24.226 -1.015 911 HG3 GLN 113 1HG GLN 113 -12.938 22.562 -0.482 912 HE21 GLN 113 1HE2 GLN 113 -13.740 23.333 -3.798 913 HE22 GLN 113 2HE2 GLN 113 -12.198 22.921 -4.453 914 H THR 114 H THR 114 -14.530 23.519 1.804 915 HA THR 114 HA THR 114 -15.971 26.023 2.160 916 HB THR 114 HB THR 114 -15.011 26.062 4.427 917 HG1 THR 114 HG1 THR 114 -13.192 24.411 3.378 918 HG21 THR 114 3HG2 THR 114 -16.122 24.046 5.280 919 HG22 THR 114 1HG2 THR 114 -16.167 23.380 3.648 920 HG23 THR 114 2HG2 THR 114 -17.088 24.834 4.033 921 H LEU 115 H LEU 115 -15.143 27.691 1.027 922 HA LEU 115 HA LEU 115 -12.611 28.743 2.026 923 HB2 LEU 115 2HB LEU 115 -12.263 27.500 -0.215 924 HB3 LEU 115 1HB LEU 115 -13.156 28.816 -0.946 925 HG LEU 115 HG LEU 115 -10.667 29.018 -1.139 926 HD11 LEU 115 1HD1 LEU 115 -12.083 31.003 -1.319 927 HD12 LEU 115 2HD1 LEU 115 -10.529 31.376 -0.572 928 HD13 LEU 115 3HD1 LEU 115 -11.976 31.238 0.426 929 HD21 LEU 115 3HD2 LEU 115 -9.373 29.683 0.823 930 HD22 LEU 115 1HD2 LEU 115 -10.064 28.073 1.029 931 HD23 LEU 115 2HD2 LEU 115 -10.793 29.457 1.845 932 HA PRO 116 HA PRO 116 -15.900 31.953 1.835 933 HB2 PRO 116 2HB PRO 116 -15.419 32.635 4.564 934 HB3 PRO 116 1HB PRO 116 -16.763 31.698 3.914 935 HG2 PRO 116 2HG PRO 116 -14.754 30.711 5.580 936 HG3 PRO 116 1HG PRO 116 -15.847 29.731 4.589 937 HD2 PRO 116 2HD PRO 116 -13.023 30.565 4.042 938 HD3 PRO 116 1HD PRO 116 -13.844 29.032 3.670 Start of MODEL 11 1 H1 MET 1 1H MET 1 47.562 -26.509 -6.639 2 H2 MET 1 2H MET 1 46.886 -27.804 -7.494 3 H3 MET 1 3H MET 1 47.078 -27.911 -5.819 4 HA MET 1 HA MET 1 45.487 -26.144 -5.475 5 HB2 MET 1 2HB MET 1 45.268 -26.236 -8.492 6 HB3 MET 1 1HB MET 1 44.111 -25.418 -7.451 7 HG2 MET 1 2HG MET 1 45.885 -23.945 -6.639 8 HG3 MET 1 1HG MET 1 47.039 -24.760 -7.695 9 HE1 MET 1 3HE MET 1 47.722 -22.384 -8.697 10 HE2 MET 1 1HE MET 1 46.532 -21.575 -7.676 11 HE3 MET 1 2HE MET 1 46.569 -21.256 -9.410 12 H GLY 2 H GLY 2 42.962 -26.427 -6.155 13 HA2 GLY 2 2HA GLY 2 42.191 -29.086 -6.938 14 HA3 GLY 2 1HA GLY 2 42.082 -28.856 -5.199 15 H HIS 3 H HIS 3 40.013 -28.555 -4.656 16 HA HIS 3 HA HIS 3 38.212 -27.129 -6.478 17 HB2 HIS 3 2HB HIS 3 37.648 -28.615 -3.896 18 HB3 HIS 3 1HB HIS 3 36.424 -27.876 -4.924 19 HD1 HIS 3 HD1 HIS 3 35.468 -29.331 -6.712 20 HD2 HIS 3 HD2 HIS 3 39.067 -30.802 -5.244 21 HE1 HIS 3 HE1 HIS 3 35.775 -31.570 -7.804 22 HE2 HIS 3 HE2 HIS 3 37.863 -32.513 -6.757 23 H HIS 4 H HIS 4 37.537 -25.074 -6.149 24 HA HIS 4 HA HIS 4 38.803 -23.389 -4.313 25 HB2 HIS 4 2HB HIS 4 37.682 -22.664 -6.435 26 HB3 HIS 4 1HB HIS 4 36.128 -22.880 -5.639 27 HD1 HIS 4 HD1 HIS 4 38.980 -20.550 -5.935 28 HD2 HIS 4 HD2 HIS 4 35.559 -20.946 -3.609 29 HE1 HIS 4 HE1 HIS 4 38.687 -18.341 -4.783 30 HE2 HIS 4 HE2 HIS 4 36.696 -18.644 -3.291 31 H HIS 5 H HIS 5 38.627 -23.410 -2.182 32 HA HIS 5 HA HIS 5 36.530 -24.722 -0.789 33 HB2 HIS 5 2HB HIS 5 38.767 -22.943 0.205 34 HB3 HIS 5 1HB HIS 5 37.701 -23.877 1.251 35 HD1 HIS 5 HD1 HIS 5 40.486 -24.296 -1.247 36 HD2 HIS 5 HD2 HIS 5 38.276 -26.585 1.425 37 HE1 HIS 5 HE1 HIS 5 41.659 -26.510 -1.131 38 HE2 HIS 5 HE2 HIS 5 40.397 -27.815 0.605 39 H HIS 6 H HIS 6 35.107 -23.835 0.801 40 HA HIS 6 HA HIS 6 34.531 -21.043 0.985 41 HB2 HIS 6 2HB HIS 6 32.258 -21.192 -0.117 42 HB3 HIS 6 1HB HIS 6 33.624 -21.266 -1.226 43 HD1 HIS 6 HD1 HIS 6 33.838 -23.345 -2.669 44 HD2 HIS 6 HD2 HIS 6 30.932 -23.714 0.277 45 HE1 HIS 6 HE1 HIS 6 32.637 -25.485 -3.173 46 HE2 HIS 6 HE2 HIS 6 31.050 -25.790 -1.250 47 H HIS 7 H HIS 7 32.902 -20.577 2.554 48 HA HIS 7 HA HIS 7 31.936 -22.936 4.057 49 HB2 HIS 7 2HB HIS 7 32.705 -20.189 5.057 50 HB3 HIS 7 1HB HIS 7 31.853 -21.370 6.042 51 HD1 HIS 7 HD1 HIS 7 35.116 -20.161 5.551 52 HD2 HIS 7 HD2 HIS 7 33.503 -23.961 6.020 53 HE1 HIS 7 HE1 HIS 7 37.023 -21.614 6.288 54 HE2 HIS 7 HE2 HIS 7 36.047 -23.923 6.477 55 H HIS 8 H HIS 8 29.885 -22.752 5.146 56 HA HIS 8 HA HIS 8 27.957 -21.077 3.681 57 HB2 HIS 8 2HB HIS 8 27.648 -23.597 5.325 58 HB3 HIS 8 1HB HIS 8 26.269 -22.646 4.787 59 HD1 HIS 8 HD1 HIS 8 25.234 -23.902 2.935 60 HD2 HIS 8 HD2 HIS 8 29.381 -23.915 2.665 61 HE1 HIS 8 HE1 HIS 8 25.764 -25.090 0.788 62 HE2 HIS 8 HE2 HIS 8 28.270 -25.023 0.608 63 H SER 9 H SER 9 25.872 -21.175 5.636 64 HA SER 9 HA SER 9 26.884 -20.030 8.102 65 HB2 SER 9 2HB SER 9 25.718 -17.880 7.861 66 HB3 SER 9 1HB SER 9 26.932 -18.077 6.597 67 HG SER 9 HG SER 9 24.796 -17.300 5.918 68 H HIS 10 H HIS 10 25.011 -19.276 9.528 69 HA HIS 10 HA HIS 10 22.536 -20.794 8.982 70 HB2 HIS 10 2HB HIS 10 23.938 -21.987 10.652 71 HB3 HIS 10 1HB HIS 10 23.913 -20.556 11.676 72 HD1 HIS 10 HD1 HIS 10 21.911 -20.245 13.175 73 HD2 HIS 10 HD2 HIS 10 21.403 -23.334 10.446 74 HE1 HIS 10 HE1 HIS 10 19.831 -21.443 13.899 75 HE2 HIS 10 HE2 HIS 10 19.670 -23.424 12.364 76 H GLU 11 H GLU 11 22.139 -18.522 8.135 77 HA GLU 11 HA GLU 11 21.537 -16.527 10.201 78 HB2 GLU 11 2HB GLU 11 21.478 -16.305 7.179 79 HB3 GLU 11 1HB GLU 11 21.261 -14.974 8.310 80 HG2 GLU 11 2HG GLU 11 23.523 -15.174 9.079 81 HG3 GLU 11 1HG GLU 11 23.759 -16.647 8.140 82 H HIS 12 H HIS 12 19.458 -15.253 9.925 83 HA HIS 12 HA HIS 12 17.241 -17.151 9.640 84 HB2 HIS 12 2HB HIS 12 17.210 -14.277 10.621 85 HB3 HIS 12 1HB HIS 12 15.875 -15.419 10.719 86 HD1 HIS 12 HD1 HIS 12 16.465 -14.344 13.308 87 HD2 HIS 12 HD2 HIS 12 18.745 -17.473 11.799 88 HE1 HIS 12 HE1 HIS 12 17.525 -15.425 15.307 89 HE2 HIS 12 HE2 HIS 12 18.984 -17.235 14.364 90 H LYS 13 H LYS 13 16.526 -17.362 7.572 91 HA LYS 13 HA LYS 13 15.788 -14.883 6.153 92 HB2 LYS 13 2HB LYS 13 16.752 -17.495 4.983 93 HB3 LYS 13 1HB LYS 13 15.984 -16.234 4.022 94 HG2 LYS 13 2HG LYS 13 17.744 -14.654 4.758 95 HG3 LYS 13 1HG LYS 13 18.537 -15.983 5.607 96 HD2 LYS 13 2HD LYS 13 18.845 -17.166 3.492 97 HD3 LYS 13 1HD LYS 13 18.005 -15.872 2.632 98 HE2 LYS 13 2HE LYS 13 19.732 -14.285 3.319 99 HE3 LYS 13 1HE LYS 13 20.575 -15.560 4.196 100 HZ1 LYS 13 3HZ LYS 13 21.656 -15.329 2.132 101 HZ2 LYS 13 1HZ LYS 13 20.201 -15.311 1.267 102 HZ3 LYS 13 2HZ LYS 13 20.733 -16.737 1.998 103 H ARG 14 H ARG 14 13.731 -14.598 5.606 104 HA ARG 14 HA ARG 14 11.884 -16.894 5.580 105 HB2 ARG 14 2HB ARG 14 11.824 -14.579 7.385 106 HB3 ARG 14 1HB ARG 14 10.318 -14.793 6.515 107 HG2 ARG 14 2HG ARG 14 10.196 -15.902 8.644 108 HG3 ARG 14 1HG ARG 14 10.174 -17.101 7.350 109 HD2 ARG 14 2HD ARG 14 12.535 -17.578 7.735 110 HD3 ARG 14 1HD ARG 14 12.598 -16.338 8.990 111 HE ARG 14 HE ARG 14 10.629 -17.995 9.831 112 HH11 ARG 14 1HH1 ARG 14 13.892 -18.566 8.849 113 HH12 ARG 14 2HH1 ARG 14 14.080 -19.906 9.922 114 HH21 ARG 14 1HH2 ARG 14 10.902 -19.734 11.169 115 HH22 ARG 14 2HH2 ARG 14 12.423 -20.557 11.203 116 H ALA 15 H ALA 15 10.541 -16.927 3.857 117 HA ALA 15 HA ALA 15 10.641 -14.835 1.879 118 HB1 ALA 15 3HB ALA 15 8.847 -17.267 1.996 119 HB2 ALA 15 1HB ALA 15 10.444 -17.212 1.250 120 HB3 ALA 15 2HB ALA 15 9.129 -16.241 0.589 121 HA PRO 16 HA PRO 16 7.558 -12.171 3.566 122 HB2 PRO 16 2HB PRO 16 6.526 -11.141 1.202 123 HB3 PRO 16 1HB PRO 16 7.984 -10.566 2.011 124 HG2 PRO 16 2HG PRO 16 7.718 -12.458 -0.288 125 HG3 PRO 16 1HG PRO 16 8.904 -11.164 -0.032 126 HD2 PRO 16 2HD PRO 16 9.546 -13.734 0.374 127 HD3 PRO 16 1HD PRO 16 10.179 -12.454 1.432 128 H MET 17 H MET 17 5.621 -12.592 4.365 129 HA MET 17 HA MET 17 3.624 -14.020 2.724 130 HB2 MET 17 2HB MET 17 4.506 -15.650 4.238 131 HB3 MET 17 1HB MET 17 4.427 -14.534 5.596 132 HG2 MET 17 2HG MET 17 2.677 -16.249 5.687 133 HG3 MET 17 1HG MET 17 2.009 -14.621 5.575 134 HE1 MET 17 3HE MET 17 -0.648 -16.653 3.613 135 HE2 MET 17 1HE MET 17 -0.341 -15.510 4.921 136 HE3 MET 17 2HE MET 17 0.232 -17.175 5.049 137 H PHE 18 H PHE 18 1.751 -12.947 2.541 138 HA PHE 18 HA PHE 18 1.118 -10.668 4.181 139 HB2 PHE 18 2HB PHE 18 -0.288 -12.082 1.928 140 HB3 PHE 18 1HB PHE 18 -1.157 -10.904 2.901 141 HD1 PHE 18 HD1 PHE 18 -0.370 -8.537 2.960 142 HD2 PHE 18 HD2 PHE 18 1.234 -11.398 0.239 143 HE1 PHE 18 HE1 PHE 18 0.493 -6.714 1.552 144 HE2 PHE 18 HE2 PHE 18 2.099 -9.575 -1.169 145 HZ PHE 18 HZ PHE 18 1.729 -7.231 -0.516 146 H ILE 19 H ILE 19 0.624 -11.099 6.273 147 HA ILE 19 HA ILE 19 -1.098 -13.280 7.051 148 HB ILE 19 HB ILE 19 -0.394 -10.864 8.742 149 HG12 ILE 19 2HG1 ILE 19 1.172 -13.449 8.444 150 HG13 ILE 19 1HG1 ILE 19 1.668 -11.883 7.811 151 HG21 ILE 19 1HG2 ILE 19 -2.177 -12.298 9.615 152 HG22 ILE 19 2HG2 ILE 19 -0.728 -12.410 10.614 153 HG23 ILE 19 3HG2 ILE 19 -1.122 -13.706 9.481 154 HD11 ILE 19 3HD1 ILE 19 1.779 -11.008 10.100 155 HD12 ILE 19 1HD1 ILE 19 2.851 -12.388 9.854 156 HD13 ILE 19 2HD1 ILE 19 1.327 -12.598 10.715 157 H TYR 20 H TYR 20 -1.433 -9.817 6.511 158 HA TYR 20 HA TYR 20 -4.350 -10.150 6.257 159 HB2 TYR 20 2HB TYR 20 -3.025 -7.803 7.651 160 HB3 TYR 20 1HB TYR 20 -4.746 -7.979 7.342 161 HD1 TYR 20 HD1 TYR 20 -6.029 -9.762 8.581 162 HD2 TYR 20 HD2 TYR 20 -2.012 -8.758 9.552 163 HE1 TYR 20 HE1 TYR 20 -6.305 -10.815 10.784 164 HE2 TYR 20 HE2 TYR 20 -2.272 -9.816 11.758 165 HH TYR 20 HH TYR 20 -4.981 -11.775 12.556 166 H LYS 21 H LYS 21 -5.162 -9.146 4.448 167 HA LYS 21 HA LYS 21 -3.365 -7.405 2.904 168 HB2 LYS 21 2HB LYS 21 -4.834 -7.757 1.022 169 HB3 LYS 21 1HB LYS 21 -4.447 -9.316 1.733 170 HG2 LYS 21 2HG LYS 21 -6.622 -9.409 2.803 171 HG3 LYS 21 1HG LYS 21 -7.005 -7.789 2.221 172 HD2 LYS 21 2HD LYS 21 -6.488 -10.206 0.479 173 HD3 LYS 21 1HD LYS 21 -8.077 -9.537 0.859 174 HE2 LYS 21 2HE LYS 21 -5.862 -8.129 -0.645 175 HE3 LYS 21 1HE LYS 21 -7.323 -8.813 -1.349 176 HZ1 LYS 21 3HZ LYS 21 -7.535 -6.439 -1.072 177 HZ2 LYS 21 1HZ LYS 21 -7.217 -6.562 0.584 178 HZ3 LYS 21 2HZ LYS 21 -8.631 -7.230 -0.055 179 HA PRO 22 HA PRO 22 -5.616 -3.661 3.977 180 HB2 PRO 22 2HB PRO 22 -5.424 -2.437 1.445 181 HB3 PRO 22 1HB PRO 22 -4.298 -2.249 2.792 182 HG2 PRO 22 2HG PRO 22 -4.070 -3.916 0.357 183 HG3 PRO 22 1HG PRO 22 -2.798 -3.184 1.346 184 HD2 PRO 22 2HD PRO 22 -3.389 -5.848 1.366 185 HD3 PRO 22 1HD PRO 22 -2.688 -4.991 2.751 186 H GLN 23 H GLN 23 -7.659 -2.716 3.648 187 HA GLN 23 HA GLN 23 -9.506 -4.317 2.004 188 HB2 GLN 23 2HB GLN 23 -10.005 -4.207 4.405 189 HB3 GLN 23 1HB GLN 23 -10.042 -2.452 4.334 190 HG2 GLN 23 2HG GLN 23 -11.975 -2.602 2.781 191 HG3 GLN 23 1HG GLN 23 -11.968 -4.350 3.000 192 HE21 GLN 23 1HE2 GLN 23 -14.020 -2.361 3.632 193 HE22 GLN 23 2HE2 GLN 23 -14.355 -2.541 5.317 194 H SER 24 H SER 24 -10.966 -3.352 0.550 195 HA SER 24 HA SER 24 -10.138 -0.962 -0.724 196 HB2 SER 24 2HB SER 24 -12.156 -1.187 -2.110 197 HB3 SER 24 1HB SER 24 -11.345 -2.739 -1.930 198 HG SER 24 HG SER 24 -13.472 -1.973 -0.225 199 H LYS 25 H LYS 25 -10.667 1.127 -0.411 200 HA LYS 25 HA LYS 25 -12.681 1.735 1.674 201 HB2 LYS 25 2HB LYS 25 -10.031 3.092 1.142 202 HB3 LYS 25 1HB LYS 25 -11.232 3.669 2.292 203 HG2 LYS 25 2HG LYS 25 -9.910 0.962 2.447 204 HG3 LYS 25 1HG LYS 25 -9.339 2.396 3.304 205 HD2 LYS 25 2HD LYS 25 -11.487 2.549 4.481 206 HD3 LYS 25 1HD LYS 25 -12.068 1.123 3.618 207 HE2 LYS 25 2HE LYS 25 -10.399 -0.260 4.665 208 HE3 LYS 25 1HE LYS 25 -9.633 1.147 5.403 209 HZ1 LYS 25 3HZ LYS 25 -12.396 0.227 5.991 210 HZ2 LYS 25 1HZ LYS 25 -11.577 1.501 6.742 211 HZ3 LYS 25 2HZ LYS 25 -11.043 -0.089 6.957 212 H LYS 26 H LYS 26 -14.135 3.320 1.298 213 HA LYS 26 HA LYS 26 -13.969 4.794 -1.255 214 HB2 LYS 26 2HB LYS 26 -16.463 4.940 -1.091 215 HB3 LYS 26 1HB LYS 26 -15.849 3.300 -1.252 216 HG2 LYS 26 2HG LYS 26 -16.085 3.021 1.205 217 HG3 LYS 26 1HG LYS 26 -16.827 4.619 1.277 218 HD2 LYS 26 2HD LYS 26 -18.633 3.856 -0.193 219 HD3 LYS 26 1HD LYS 26 -17.881 2.262 -0.300 220 HE2 LYS 26 2HE LYS 26 -18.137 2.012 2.148 221 HE3 LYS 26 1HE LYS 26 -18.952 3.574 2.201 222 HZ1 LYS 26 3HZ LYS 26 -20.544 1.783 2.178 223 HZ2 LYS 26 1HZ LYS 26 -19.894 1.169 0.745 224 HZ3 LYS 26 2HZ LYS 26 -20.667 2.671 0.745 225 H VAL 27 H VAL 27 -13.631 6.934 -1.105 226 HA VAL 27 HA VAL 27 -14.670 8.445 1.202 227 HB VAL 27 HB VAL 27 -12.554 9.750 1.341 228 HG11 VAL 27 1HG1 VAL 27 -11.259 8.060 2.566 229 HG12 VAL 27 2HG1 VAL 27 -12.237 6.784 1.839 230 HG13 VAL 27 3HG1 VAL 27 -12.980 7.949 2.934 231 HG21 VAL 27 3HG2 VAL 27 -10.505 8.849 0.324 232 HG22 VAL 27 1HG2 VAL 27 -11.689 9.305 -0.901 233 HG23 VAL 27 2HG2 VAL 27 -11.456 7.605 -0.492 234 H LEU 28 H LEU 28 -14.218 10.917 0.785 235 HA LEU 28 HA LEU 28 -15.103 11.517 -1.961 236 HB2 LEU 28 2HB LEU 28 -15.354 13.151 0.572 237 HB3 LEU 28 1HB LEU 28 -15.936 13.643 -1.006 238 HG LEU 28 HG LEU 28 -16.959 11.270 0.570 239 HD11 LEU 28 1HD1 LEU 28 -18.196 13.980 0.063 240 HD12 LEU 28 2HD1 LEU 28 -17.600 13.373 1.608 241 HD13 LEU 28 3HD1 LEU 28 -18.996 12.615 0.846 242 HD21 LEU 28 3HD2 LEU 28 -17.118 10.921 -1.839 243 HD22 LEU 28 1HD2 LEU 28 -17.928 12.476 -2.026 244 HD23 LEU 28 2HD2 LEU 28 -18.713 11.171 -1.133 245 H GLU 29 H GLU 29 -14.408 13.680 -2.833 246 HA GLU 29 HA GLU 29 -11.608 13.942 -2.967 247 HB2 GLU 29 2HB GLU 29 -13.753 15.960 -3.664 248 HB3 GLU 29 1HB GLU 29 -12.063 16.092 -4.128 249 HG2 GLU 29 2HG GLU 29 -12.288 14.007 -5.426 250 HG3 GLU 29 1HG GLU 29 -14.001 13.961 -5.004 251 H GLY 30 H GLY 30 -10.333 14.550 -1.302 252 HA2 GLY 30 2HA GLY 30 -9.463 16.483 -0.093 253 HA3 GLY 30 1HA GLY 30 -11.122 16.949 0.251 254 H ASP 31 H ASP 31 -11.374 13.806 0.673 255 HA ASP 31 HA ASP 31 -10.815 13.879 3.524 256 HB2 ASP 31 2HB ASP 31 -12.090 11.794 1.737 257 HB3 ASP 31 1HB ASP 31 -11.850 11.572 3.468 258 H SER 32 H SER 32 -9.907 11.621 4.381 259 HA SER 32 HA SER 32 -7.467 10.988 2.841 260 HB2 SER 32 2HB SER 32 -6.208 10.865 4.958 261 HB3 SER 32 1HB SER 32 -6.884 12.473 4.707 262 HG SER 32 HG SER 32 -7.337 10.692 6.709 263 H VAL 33 H VAL 33 -6.458 8.934 3.398 264 HA VAL 33 HA VAL 33 -8.219 6.921 4.597 265 HB VAL 33 HB VAL 33 -8.709 6.983 2.148 266 HG11 VAL 33 1HG1 VAL 33 -6.532 7.650 1.309 267 HG12 VAL 33 2HG1 VAL 33 -7.019 6.124 0.571 268 HG13 VAL 33 3HG1 VAL 33 -5.820 6.135 1.869 269 HG21 VAL 33 3HG2 VAL 33 -9.044 4.927 3.425 270 HG22 VAL 33 1HG2 VAL 33 -7.376 4.447 3.113 271 HG23 VAL 33 2HG2 VAL 33 -8.525 4.567 1.778 272 H LYS 34 H LYS 34 -7.098 4.877 5.043 273 HA LYS 34 HA LYS 34 -4.182 4.917 4.848 274 HB2 LYS 34 2HB LYS 34 -3.990 4.202 7.242 275 HB3 LYS 34 1HB LYS 34 -4.515 5.863 7.011 276 HG2 LYS 34 2HG LYS 34 -6.848 5.162 7.421 277 HG3 LYS 34 1HG LYS 34 -6.275 3.519 7.730 278 HD2 LYS 34 2HD LYS 34 -6.621 4.737 9.826 279 HD3 LYS 34 1HD LYS 34 -4.915 4.342 9.601 280 HE2 LYS 34 2HE LYS 34 -4.516 6.629 8.763 281 HE3 LYS 34 1HE LYS 34 -6.212 7.019 9.049 282 HZ1 LYS 34 3HZ LYS 34 -5.869 6.585 11.403 283 HZ2 LYS 34 1HZ LYS 34 -4.823 7.791 10.850 284 HZ3 LYS 34 2HZ LYS 34 -4.240 6.228 11.122 285 H LEU 35 H LEU 35 -3.516 3.067 4.027 286 HA LEU 35 HA LEU 35 -5.117 0.618 4.449 287 HB2 LEU 35 2HB LEU 35 -3.288 1.327 2.141 288 HB3 LEU 35 1HB LEU 35 -4.162 -0.185 2.316 289 HG LEU 35 HG LEU 35 -5.429 2.541 1.960 290 HD11 LEU 35 1HD1 LEU 35 -6.054 1.749 -0.259 291 HD12 LEU 35 2HD1 LEU 35 -5.215 0.223 0.029 292 HD13 LEU 35 3HD1 LEU 35 -4.301 1.728 -0.068 293 HD21 LEU 35 3HD2 LEU 35 -6.682 -0.208 2.098 294 HD22 LEU 35 1HD2 LEU 35 -7.530 1.290 1.713 295 HD23 LEU 35 2HD2 LEU 35 -6.824 1.062 3.312 296 H GLU 36 H GLU 36 -4.148 -0.700 5.910 297 HA GLU 36 HA GLU 36 -1.204 -0.915 5.820 298 HB2 GLU 36 2HB GLU 36 -1.145 -1.200 8.242 299 HB3 GLU 36 1HB GLU 36 -1.862 0.345 7.807 300 HG2 GLU 36 2HG GLU 36 -4.053 -0.435 8.323 301 HG3 GLU 36 1HG GLU 36 -3.481 -2.094 8.513 302 H CYS 37 H CYS 37 -0.289 -2.914 6.524 303 HA CYS 37 HA CYS 37 -1.993 -5.248 6.776 304 HB2 CYS 37 2HB CYS 37 -0.937 -6.405 4.832 305 HB3 CYS 37 1HB CYS 37 -1.958 -5.051 4.371 306 HG CYS 37 HG CYS 37 1.326 -5.511 3.908 307 H GLN 38 H GLN 38 -0.736 -7.239 7.155 308 HA GLN 38 HA GLN 38 1.867 -6.654 8.428 309 HB2 GLN 38 2HB GLN 38 -0.058 -8.923 9.010 310 HB3 GLN 38 1HB GLN 38 1.475 -8.647 9.823 311 HG2 GLN 38 2HG GLN 38 -0.892 -6.788 9.877 312 HG3 GLN 38 1HG GLN 38 -0.441 -7.915 11.153 313 HE21 GLN 38 1HE2 GLN 38 2.431 -7.397 10.829 314 HE22 GLN 38 2HE2 GLN 38 2.698 -5.847 11.529 315 H ILE 39 H ILE 39 3.493 -7.222 7.123 316 HA ILE 39 HA ILE 39 3.307 -9.738 5.579 317 HB ILE 39 HB ILE 39 5.100 -7.349 5.057 318 HG12 ILE 39 2HG1 ILE 39 2.641 -8.272 3.536 319 HG13 ILE 39 1HG1 ILE 39 2.709 -6.870 4.598 320 HG21 ILE 39 1HG2 ILE 39 4.651 -9.872 3.450 321 HG22 ILE 39 2HG2 ILE 39 6.119 -9.429 4.321 322 HG23 ILE 39 3HG2 ILE 39 5.607 -8.486 2.921 323 HD11 ILE 39 3HD1 ILE 39 4.285 -7.228 2.055 324 HD12 ILE 39 1HD1 ILE 39 4.332 -5.817 3.114 325 HD13 ILE 39 2HD1 ILE 39 2.846 -6.229 2.259 326 H SER 40 H SER 40 4.485 -11.371 6.464 327 HA SER 40 HA SER 40 6.717 -10.716 8.254 328 HB2 SER 40 2HB SER 40 5.090 -12.373 9.054 329 HB3 SER 40 1HB SER 40 5.409 -13.389 7.650 330 HG SER 40 HG SER 40 7.181 -14.091 8.556 331 H ALA 41 H ALA 41 8.466 -10.200 7.048 332 HA ALA 41 HA ALA 41 9.617 -12.344 5.388 333 HB1 ALA 41 3HB ALA 41 10.459 -10.696 3.789 334 HB2 ALA 41 1HB ALA 41 9.640 -9.413 4.679 335 HB3 ALA 41 2HB ALA 41 8.698 -10.664 3.874 336 H ILE 42 H ILE 42 11.862 -12.574 5.513 337 HA ILE 42 HA ILE 42 13.392 -10.616 7.081 338 HB ILE 42 HB ILE 42 13.554 -13.598 7.622 339 HG12 ILE 42 2HG1 ILE 42 12.467 -11.400 9.418 340 HG13 ILE 42 1HG1 ILE 42 11.476 -12.561 8.541 341 HG21 ILE 42 1HG2 ILE 42 15.074 -12.959 9.443 342 HG22 ILE 42 2HG2 ILE 42 14.953 -11.270 8.948 343 HG23 ILE 42 3HG2 ILE 42 15.694 -12.454 7.871 344 HD11 ILE 42 3HD1 ILE 42 13.459 -13.204 10.712 345 HD12 ILE 42 1HD1 ILE 42 12.494 -14.381 9.821 346 HD13 ILE 42 2HD1 ILE 42 11.701 -13.197 10.861 347 HA PRO 43 HA PRO 43 15.089 -9.534 6.971 348 HB2 PRO 43 2HB PRO 43 16.391 -8.143 4.746 349 HB3 PRO 43 1HB PRO 43 17.016 -8.476 6.362 350 HG2 PRO 43 2HG PRO 43 17.997 -9.680 4.142 351 HG3 PRO 43 1HG PRO 43 17.961 -10.482 5.725 352 HD2 PRO 43 2HD PRO 43 16.065 -10.779 3.407 353 HD3 PRO 43 1HD PRO 43 16.791 -12.037 4.435 354 HA PRO 44 HA PRO 44 11.732 -6.910 5.548 355 HB2 PRO 44 2HB PRO 44 13.730 -4.688 5.234 356 HB3 PRO 44 1HB PRO 44 12.136 -4.664 6.000 357 HG2 PRO 44 2HG PRO 44 14.325 -4.782 7.492 358 HG3 PRO 44 1HG PRO 44 12.898 -5.748 7.917 359 HD2 PRO 44 2HD PRO 44 15.478 -6.615 6.692 360 HD3 PRO 44 1HD PRO 44 14.409 -7.487 7.809 361 HA PRO 45 HA PRO 45 12.408 -7.207 1.118 362 HB2 PRO 45 2HB PRO 45 9.864 -7.421 0.365 363 HB3 PRO 45 1HB PRO 45 10.622 -8.688 1.339 364 HG2 PRO 45 2HG PRO 45 8.775 -6.489 2.196 365 HG3 PRO 45 1HG PRO 45 8.788 -8.194 2.686 366 HD2 PRO 45 2HD PRO 45 9.916 -6.107 4.142 367 HD3 PRO 45 1HD PRO 45 10.342 -7.821 4.321 368 H LYS 46 H LYS 46 11.857 -6.063 -0.870 369 HA LYS 46 HA LYS 46 11.475 -3.213 -0.514 370 HB2 LYS 46 2HB LYS 46 13.131 -4.107 -2.131 371 HB3 LYS 46 1HB LYS 46 11.822 -4.835 -3.053 372 HG2 LYS 46 2HG LYS 46 12.577 -2.776 -4.090 373 HG3 LYS 46 1HG LYS 46 10.910 -2.623 -3.528 374 HD2 LYS 46 2HD LYS 46 11.676 -1.401 -1.551 375 HD3 LYS 46 1HD LYS 46 13.354 -1.597 -2.065 376 HE2 LYS 46 2HE LYS 46 12.881 -0.297 -4.088 377 HE3 LYS 46 1HE LYS 46 11.207 -0.095 -3.570 378 HZ1 LYS 46 3HZ LYS 46 12.629 1.826 -3.067 379 HZ2 LYS 46 1HZ LYS 46 13.565 0.864 -2.041 380 HZ3 LYS 46 2HZ LYS 46 11.938 1.158 -1.681 381 H LEU 47 H LEU 47 9.560 -2.186 -0.666 382 HA LEU 47 HA LEU 47 7.198 -3.731 -1.461 383 HB2 LEU 47 2HB LEU 47 7.373 -1.052 -0.074 384 HB3 LEU 47 1HB LEU 47 5.915 -1.998 -0.315 385 HG LEU 47 HG LEU 47 8.274 -2.826 1.394 386 HD11 LEU 47 1HD1 LEU 47 6.766 -2.442 3.283 387 HD12 LEU 47 2HD1 LEU 47 5.536 -1.829 2.178 388 HD13 LEU 47 3HD1 LEU 47 7.059 -0.961 2.373 389 HD21 LEU 47 3HD2 LEU 47 7.122 -4.752 0.432 390 HD22 LEU 47 1HD2 LEU 47 5.574 -4.131 1.007 391 HD23 LEU 47 2HD2 LEU 47 6.809 -4.634 2.161 392 H PHE 48 H PHE 48 6.028 -3.313 -3.230 393 HA PHE 48 HA PHE 48 6.454 -0.773 -4.687 394 HB2 PHE 48 2HB PHE 48 5.934 -3.531 -5.840 395 HB3 PHE 48 1HB PHE 48 5.961 -2.043 -6.780 396 HD1 PHE 48 HD1 PHE 48 8.079 -0.815 -7.100 397 HD2 PHE 48 HD2 PHE 48 7.956 -4.599 -5.142 398 HE1 PHE 48 HE1 PHE 48 10.505 -1.063 -7.428 399 HE2 PHE 48 HE2 PHE 48 10.379 -4.844 -5.463 400 HZ PHE 48 HZ PHE 48 11.658 -3.078 -6.604 401 H TRP 49 H TRP 49 4.675 0.456 -4.672 402 HA TRP 49 HA TRP 49 2.023 -0.848 -4.665 403 HB2 TRP 49 2HB TRP 49 2.865 1.888 -3.683 404 HB3 TRP 49 1HB TRP 49 1.181 1.422 -3.890 405 HD1 TRP 49 HD1 TRP 49 4.276 0.446 -1.781 406 HE1 TRP 49 HE1 TRP 49 3.437 -0.569 0.431 407 HE3 TRP 49 HE3 TRP 49 -0.743 0.371 -2.771 408 HZ2 TRP 49 HZ2 TRP 49 0.963 -1.311 1.602 409 HZ3 TRP 49 HZ3 TRP 49 -2.276 -0.507 -1.060 410 HH2 TRP 49 HH2 TRP 49 -1.439 -1.332 1.082 411 H LYS 50 H LYS 50 0.863 -0.730 -6.473 412 HA LYS 50 HA LYS 50 1.478 1.403 -8.430 413 HB2 LYS 50 2HB LYS 50 2.376 -0.591 -9.306 414 HB3 LYS 50 1HB LYS 50 0.983 -1.545 -8.821 415 HG2 LYS 50 2HG LYS 50 -0.357 -0.529 -10.565 416 HG3 LYS 50 1HG LYS 50 0.980 0.543 -11.004 417 HD2 LYS 50 2HD LYS 50 2.334 -1.344 -11.681 418 HD3 LYS 50 1HD LYS 50 1.116 -2.479 -11.097 419 HE2 LYS 50 2HE LYS 50 0.628 -0.485 -13.307 420 HE3 LYS 50 1HE LYS 50 1.157 -2.144 -13.582 421 HZ1 LYS 50 3HZ LYS 50 -1.362 -1.341 -12.227 422 HZ2 LYS 50 1HZ LYS 50 -0.850 -2.928 -12.500 423 HZ3 LYS 50 2HZ LYS 50 -1.232 -1.933 -13.808 424 H ARG 51 H ARG 51 -0.177 2.627 -9.059 425 HA ARG 51 HA ARG 51 -2.911 1.890 -8.195 426 HB2 ARG 51 2HB ARG 51 -2.004 3.882 -7.094 427 HB3 ARG 51 1HB ARG 51 -1.645 4.604 -8.656 428 HG2 ARG 51 2HG ARG 51 -4.168 4.423 -9.111 429 HG3 ARG 51 1HG ARG 51 -4.323 4.136 -7.378 430 HD2 ARG 51 2HD ARG 51 -4.651 6.454 -7.660 431 HD3 ARG 51 1HD ARG 51 -3.003 6.289 -7.054 432 HE ARG 51 HE ARG 51 -3.013 6.315 -9.883 433 HH11 ARG 51 1HH1 ARG 51 -3.304 8.396 -7.157 434 HH12 ARG 51 2HH1 ARG 51 -2.887 9.815 -8.044 435 HH21 ARG 51 1HH2 ARG 51 -2.477 8.130 -11.027 436 HH22 ARG 51 2HH2 ARG 51 -2.402 9.657 -10.222 437 H ASN 52 H ASN 52 -4.103 1.189 -9.906 438 HA ASN 52 HA ASN 52 -5.069 1.080 -11.982 439 HB2 ASN 52 2HB ASN 52 -5.993 3.197 -10.881 440 HB3 ASN 52 1HB ASN 52 -4.897 4.102 -11.919 441 HD21 ASN 52 1HD2 ASN 52 -7.741 4.249 -11.879 442 HD22 ASN 52 2HD2 ASN 52 -8.298 3.773 -13.442 443 H ASN 53 H ASN 53 -2.560 0.454 -12.416 444 HA ASN 53 HA ASN 53 -1.062 0.157 -14.094 445 HB2 ASN 53 2HB ASN 53 -2.703 2.200 -15.599 446 HB3 ASN 53 1HB ASN 53 -1.389 1.255 -16.292 447 HD21 ASN 53 1HD2 ASN 53 -4.218 1.325 -17.005 448 HD22 ASN 53 2HD2 ASN 53 -4.773 -0.304 -16.872 449 H GLU 54 H GLU 54 -1.276 2.910 -12.316 450 HA GLU 54 HA GLU 54 1.202 4.057 -13.441 451 HB2 GLU 54 2HB GLU 54 -0.783 5.301 -11.525 452 HB3 GLU 54 1HB GLU 54 0.674 6.078 -12.121 453 HG2 GLU 54 2HG GLU 54 -0.238 5.952 -14.416 454 HG3 GLU 54 1HG GLU 54 -1.723 5.262 -13.756 455 H MET 55 H MET 55 2.904 4.679 -11.997 456 HA MET 55 HA MET 55 3.233 3.070 -9.624 457 HB2 MET 55 2HB MET 55 5.145 3.588 -11.086 458 HB3 MET 55 1HB MET 55 4.937 5.305 -10.771 459 HG2 MET 55 2HG MET 55 6.560 4.944 -9.259 460 HG3 MET 55 1HG MET 55 5.225 4.399 -8.247 461 HE1 MET 55 3HE MET 55 5.492 0.475 -8.650 462 HE2 MET 55 1HE MET 55 4.493 1.558 -9.619 463 HE3 MET 55 2HE MET 55 4.616 1.795 -7.876 464 H VAL 56 H VAL 56 2.975 3.719 -7.495 465 HA VAL 56 HA VAL 56 1.618 6.222 -6.982 466 HB VAL 56 HB VAL 56 2.582 4.126 -5.017 467 HG11 VAL 56 1HG1 VAL 56 0.655 6.429 -4.652 468 HG12 VAL 56 2HG1 VAL 56 2.250 6.267 -3.919 469 HG13 VAL 56 3HG1 VAL 56 0.957 5.156 -3.468 470 HG21 VAL 56 3HG2 VAL 56 0.961 3.224 -6.618 471 HG22 VAL 56 1HG2 VAL 56 -0.154 4.537 -6.242 472 HG23 VAL 56 2HG2 VAL 56 0.256 3.346 -5.006 473 H GLN 57 H GLN 57 2.508 8.095 -6.356 474 HA GLN 57 HA GLN 57 5.400 8.253 -6.025 475 HB2 GLN 57 2HB GLN 57 3.322 10.458 -6.097 476 HB3 GLN 57 1HB GLN 57 5.064 10.684 -6.161 477 HG2 GLN 57 2HG GLN 57 5.157 9.553 -8.309 478 HG3 GLN 57 1HG GLN 57 3.424 9.235 -8.237 479 HE21 GLN 57 1HE2 GLN 57 2.778 11.852 -7.128 480 HE22 GLN 57 2HE2 GLN 57 2.977 12.983 -8.416 481 H PHE 58 H PHE 58 6.234 8.011 -4.020 482 HA PHE 58 HA PHE 58 4.672 8.820 -1.679 483 HB2 PHE 58 2HB PHE 58 7.375 7.459 -1.750 484 HB3 PHE 58 1HB PHE 58 6.302 7.610 -0.361 485 HD1 PHE 58 HD1 PHE 58 3.803 6.683 -0.930 486 HD2 PHE 58 HD2 PHE 58 7.437 5.386 -2.737 487 HE1 PHE 58 HE1 PHE 58 2.747 4.536 -1.515 488 HE2 PHE 58 HE2 PHE 58 6.383 3.245 -3.331 489 HZ PHE 58 HZ PHE 58 4.038 2.818 -2.717 490 H ASN 59 H ASN 59 6.656 10.329 -3.754 491 HA ASN 59 HA ASN 59 8.313 11.794 -1.864 492 HB2 ASN 59 2HB ASN 59 9.207 12.881 -3.925 493 HB3 ASN 59 1HB ASN 59 9.328 11.126 -3.950 494 HD21 ASN 59 1HD2 ASN 59 7.863 13.903 -5.386 495 HD22 ASN 59 2HD2 ASN 59 7.097 13.072 -6.691 496 H THR 60 H THR 60 5.177 12.076 -2.555 497 HA THR 60 HA THR 60 5.169 15.029 -2.593 498 HB THR 60 HB THR 60 3.820 14.253 -4.383 499 HG1 THR 60 HG1 THR 60 1.894 15.186 -3.844 500 HG21 THR 60 3HG2 THR 60 2.002 12.633 -4.123 501 HG22 THR 60 1HG2 THR 60 2.428 12.423 -2.422 502 HG23 THR 60 2HG2 THR 60 3.556 11.922 -3.682 503 H ASP 61 H ASP 61 3.572 16.118 -1.199 504 HA ASP 61 HA ASP 61 3.960 15.236 1.482 505 HB2 ASP 61 2HB ASP 61 3.955 17.613 0.852 506 HB3 ASP 61 1HB ASP 61 2.247 17.504 0.433 507 H ARG 62 H ARG 62 1.242 15.018 -0.735 508 HA ARG 62 HA ARG 62 -0.618 14.371 1.408 509 HB2 ARG 62 2HB ARG 62 -1.099 14.392 -1.578 510 HB3 ARG 62 1HB ARG 62 -2.328 14.296 -0.321 511 HG2 ARG 62 2HG ARG 62 -1.473 16.537 0.504 512 HG3 ARG 62 1HG ARG 62 -0.541 16.621 -0.991 513 HD2 ARG 62 2HD ARG 62 -3.538 16.508 -0.688 514 HD3 ARG 62 1HD ARG 62 -2.572 17.834 -1.330 515 HE ARG 62 HE ARG 62 -3.067 15.261 -2.676 516 HH11 ARG 62 1HH1 ARG 62 -2.059 18.562 -2.812 517 HH12 ARG 62 2HH1 ARG 62 -2.123 18.612 -4.537 518 HH21 ARG 62 1HH2 ARG 62 -3.157 15.348 -4.867 519 HH22 ARG 62 2HH2 ARG 62 -2.733 16.807 -5.695 520 H ILE 63 H ILE 63 1.541 12.607 -0.532 521 HA ILE 63 HA ILE 63 0.113 10.092 0.122 522 HB ILE 63 HB ILE 63 2.044 10.465 -2.178 523 HG12 ILE 63 2HG1 ILE 63 -0.049 11.742 -2.567 524 HG13 ILE 63 1HG1 ILE 63 0.122 10.396 -3.685 525 HG21 ILE 63 1HG2 ILE 63 1.221 8.258 -2.899 526 HG22 ILE 63 2HG2 ILE 63 0.218 8.169 -1.451 527 HG23 ILE 63 3HG2 ILE 63 1.976 8.192 -1.307 528 HD11 ILE 63 3HD1 ILE 63 -1.630 10.457 -1.239 529 HD12 ILE 63 1HD1 ILE 63 -1.456 9.095 -2.347 530 HD13 ILE 63 2HD1 ILE 63 -2.158 10.610 -2.914 531 H SER 64 H SER 64 1.191 8.783 1.513 532 HA SER 64 HA SER 64 4.114 8.878 1.649 533 HB2 SER 64 2HB SER 64 4.101 9.192 4.109 534 HB3 SER 64 1HB SER 64 3.429 10.583 3.260 535 HG SER 64 HG SER 64 1.333 9.275 3.660 536 H LEU 65 H LEU 65 5.084 7.062 2.573 537 HA LEU 65 HA LEU 65 3.347 4.854 3.455 538 HB2 LEU 65 2HB LEU 65 3.704 4.496 1.072 539 HB3 LEU 65 1HB LEU 65 5.436 4.688 1.275 540 HG LEU 65 HG LEU 65 5.396 2.618 2.738 541 HD11 LEU 65 1HD1 LEU 65 3.027 2.612 3.301 542 HD12 LEU 65 2HD1 LEU 65 3.490 1.107 2.507 543 HD13 LEU 65 3HD1 LEU 65 2.612 2.344 1.607 544 HD21 LEU 65 3HD2 LEU 65 5.348 1.073 0.861 545 HD22 LEU 65 1HD2 LEU 65 6.153 2.575 0.405 546 HD23 LEU 65 2HD2 LEU 65 4.498 2.267 -0.121 547 H TYR 66 H TYR 66 4.210 3.686 5.137 548 HA TYR 66 HA TYR 66 7.119 3.644 5.456 549 HB2 TYR 66 2HB TYR 66 7.086 4.219 7.790 550 HB3 TYR 66 1HB TYR 66 6.258 5.485 6.900 551 HD1 TYR 66 HD2 TYR 66 3.796 5.742 7.099 552 HD2 TYR 66 HD1 TYR 66 5.935 2.878 9.420 553 HE1 TYR 66 HE2 TYR 66 1.881 5.555 8.632 554 HE2 TYR 66 HE1 TYR 66 4.031 2.698 10.962 555 HH TYR 66 HH TYR 66 0.958 3.953 10.259 556 H GLN 67 H GLN 67 7.935 1.865 6.621 557 HA GLN 67 HA GLN 67 5.999 -0.290 7.184 558 HB2 GLN 67 2HB GLN 67 7.487 -1.916 6.132 559 HB3 GLN 67 1HB GLN 67 7.028 -0.671 4.980 560 HG2 GLN 67 2HG GLN 67 9.229 0.457 5.502 561 HG3 GLN 67 1HG GLN 67 9.672 -1.004 6.379 562 HE21 GLN 67 1HE2 GLN 67 9.917 -2.959 5.181 563 HE22 GLN 67 2HE2 GLN 67 10.244 -2.922 3.486 564 H ASP 68 H ASP 68 6.263 -1.217 9.133 565 HA ASP 68 HA ASP 68 8.456 -0.325 10.819 566 HB2 ASP 68 2HB ASP 68 6.036 -0.387 11.551 567 HB3 ASP 68 1HB ASP 68 6.147 -2.143 11.551 568 H ASN 69 H ASN 69 9.679 -1.848 12.173 569 HA ASN 69 HA ASN 69 10.980 -3.830 10.675 570 HB2 ASN 69 2HB ASN 69 11.929 -2.621 12.657 571 HB3 ASN 69 1HB ASN 69 10.918 -3.619 13.697 572 HD21 ASN 69 1HD2 ASN 69 12.603 -4.663 10.782 573 HD22 ASN 69 2HD2 ASN 69 13.661 -5.763 11.583 574 H THR 70 H THR 70 8.166 -4.037 12.740 575 HA THR 70 HA THR 70 8.170 -6.903 13.003 576 HB THR 70 HB THR 70 6.995 -5.467 14.640 577 HG1 THR 70 HG1 THR 70 6.041 -7.698 13.493 578 HG21 THR 70 3HG2 THR 70 5.041 -4.948 12.385 579 HG22 THR 70 1HG2 THR 70 6.134 -3.761 13.098 580 HG23 THR 70 2HG2 THR 70 4.834 -4.457 14.066 581 H GLY 71 H GLY 71 7.815 -5.139 10.290 582 HA2 GLY 71 2HA GLY 71 7.172 -5.900 8.183 583 HA3 GLY 71 1HA GLY 71 6.335 -7.244 8.940 584 H ARG 72 H ARG 72 5.508 -4.251 10.334 585 HA ARG 72 HA ARG 72 2.867 -4.378 9.134 586 HB2 ARG 72 2HB ARG 72 3.117 -3.932 11.551 587 HB3 ARG 72 1HB ARG 72 3.964 -2.434 11.183 588 HG2 ARG 72 2HG ARG 72 1.950 -1.558 10.092 589 HG3 ARG 72 1HG ARG 72 1.101 -3.062 10.450 590 HD2 ARG 72 2HD ARG 72 1.462 -2.637 12.871 591 HD3 ARG 72 1HD ARG 72 2.200 -1.086 12.458 592 HE ARG 72 HE ARG 72 -0.490 -1.514 11.447 593 HH11 ARG 72 1HH1 ARG 72 1.442 -0.183 13.981 594 HH12 ARG 72 2HH1 ARG 72 0.189 0.874 14.520 595 HH21 ARG 72 1HH2 ARG 72 -2.075 -0.157 12.150 596 HH22 ARG 72 2HH2 ARG 72 -1.771 0.896 13.494 597 H VAL 73 H VAL 73 2.603 -3.518 7.182 598 HA VAL 73 HA VAL 73 4.074 -1.088 6.416 599 HB VAL 73 HB VAL 73 2.317 -2.858 4.688 600 HG11 VAL 73 1HG1 VAL 73 4.344 -0.745 3.925 601 HG12 VAL 73 2HG1 VAL 73 2.590 -0.585 3.817 602 HG13 VAL 73 3HG1 VAL 73 3.432 -1.759 2.805 603 HG21 VAL 73 3HG2 VAL 73 4.197 -4.152 5.526 604 HG22 VAL 73 1HG2 VAL 73 5.323 -2.889 5.024 605 HG23 VAL 73 2HG2 VAL 73 4.422 -3.802 3.812 606 H THR 74 H THR 74 3.056 0.868 6.061 607 HA THR 74 HA THR 74 0.107 0.927 6.084 608 HB THR 74 HB THR 74 1.823 2.706 7.840 609 HG1 THR 74 HG1 THR 74 0.613 0.302 8.249 610 HG21 THR 74 3HG2 THR 74 -0.128 3.902 6.936 611 HG22 THR 74 1HG2 THR 74 -0.311 3.603 8.665 612 HG23 THR 74 2HG2 THR 74 -1.187 2.608 7.499 613 H LEU 75 H LEU 75 -0.572 1.948 4.330 614 HA LEU 75 HA LEU 75 1.017 4.111 3.139 615 HB2 LEU 75 2HB LEU 75 0.319 2.306 1.643 616 HB3 LEU 75 1HB LEU 75 -1.359 2.566 2.080 617 HG LEU 75 HG LEU 75 -1.234 4.837 1.050 618 HD11 LEU 75 1HD1 LEU 75 0.632 5.368 -0.435 619 HD12 LEU 75 2HD1 LEU 75 1.481 3.919 0.108 620 HD13 LEU 75 3HD1 LEU 75 1.154 5.229 1.243 621 HD21 LEU 75 3HD2 LEU 75 -0.541 2.527 -0.770 622 HD22 LEU 75 1HD2 LEU 75 -1.271 4.051 -1.275 623 HD23 LEU 75 2HD2 LEU 75 -2.153 2.965 -0.203 624 H LEU 76 H LEU 76 0.504 6.146 3.674 625 HA LEU 76 HA LEU 76 -2.245 6.755 4.572 626 HB2 LEU 76 2HB LEU 76 0.324 8.272 5.089 627 HB3 LEU 76 1HB LEU 76 -1.261 8.717 5.695 628 HG LEU 76 HG LEU 76 0.225 6.186 6.424 629 HD11 LEU 76 1HD1 LEU 76 -0.215 8.712 8.020 630 HD12 LEU 76 2HD1 LEU 76 1.317 8.169 7.336 631 HD13 LEU 76 3HD1 LEU 76 0.542 7.231 8.611 632 HD21 LEU 76 3HD2 LEU 76 -2.200 5.908 6.513 633 HD22 LEU 76 1HD2 LEU 76 -2.339 7.353 7.519 634 HD23 LEU 76 2HD2 LEU 76 -1.505 5.925 8.133 635 H ILE 77 H ILE 77 -3.479 7.776 3.154 636 HA ILE 77 HA ILE 77 -2.253 9.672 1.236 637 HB ILE 77 HB ILE 77 -4.705 7.927 0.885 638 HG12 ILE 77 2HG1 ILE 77 -2.052 7.947 -0.586 639 HG13 ILE 77 1HG1 ILE 77 -2.558 6.744 0.595 640 HG21 ILE 77 1HG2 ILE 77 -3.573 10.014 -0.984 641 HG22 ILE 77 2HG2 ILE 77 -5.116 10.091 -0.132 642 HG23 ILE 77 3HG2 ILE 77 -4.862 8.876 -1.383 643 HD11 ILE 77 3HD1 ILE 77 -3.829 7.259 -2.086 644 HD12 ILE 77 1HD1 ILE 77 -4.392 6.082 -0.899 645 HD13 ILE 77 2HD1 ILE 77 -2.807 5.890 -1.648 646 H LYS 78 H LYS 78 -2.785 11.742 1.625 647 HA LYS 78 HA LYS 78 -5.271 12.333 3.116 648 HB2 LYS 78 2HB LYS 78 -2.748 14.003 2.950 649 HB3 LYS 78 1HB LYS 78 -4.160 14.338 3.945 650 HG2 LYS 78 2HG LYS 78 -3.714 12.297 5.248 651 HG3 LYS 78 1HG LYS 78 -2.290 11.986 4.251 652 HD2 LYS 78 2HD LYS 78 -1.368 14.183 4.977 653 HD3 LYS 78 1HD LYS 78 -2.746 14.363 6.063 654 HE2 LYS 78 2HE LYS 78 -2.075 12.314 7.241 655 HE3 LYS 78 1HE LYS 78 -0.693 12.147 6.157 656 HZ1 LYS 78 3HZ LYS 78 0.082 14.335 6.969 657 HZ2 LYS 78 1HZ LYS 78 0.028 13.156 8.181 658 HZ3 LYS 78 2HZ LYS 78 -1.177 14.338 8.098 659 H ASP 79 H ASP 79 -6.599 14.032 2.443 660 HA ASP 79 HA ASP 79 -7.631 15.471 1.010 661 HB2 ASP 79 2HB ASP 79 -5.439 16.660 1.700 662 HB3 ASP 79 1HB ASP 79 -4.880 16.284 0.077 663 H VAL 80 H VAL 80 -7.441 12.894 0.000 664 HA VAL 80 HA VAL 80 -6.302 12.781 -2.623 665 HB VAL 80 HB VAL 80 -6.654 10.808 -1.078 666 HG11 VAL 80 1HG1 VAL 80 -9.500 10.972 -2.070 667 HG12 VAL 80 2HG1 VAL 80 -8.967 11.302 -0.419 668 HG13 VAL 80 3HG1 VAL 80 -8.810 9.677 -1.091 669 HG21 VAL 80 3HG2 VAL 80 -6.050 10.494 -3.415 670 HG22 VAL 80 1HG2 VAL 80 -7.751 10.550 -3.879 671 HG23 VAL 80 2HG2 VAL 80 -7.151 9.225 -2.881 672 H ASN 81 H ASN 81 -7.309 12.890 -4.648 673 HA ASN 81 HA ASN 81 -10.159 13.684 -4.652 674 HB2 ASN 81 2HB ASN 81 -9.678 15.153 -6.593 675 HB3 ASN 81 1HB ASN 81 -8.832 15.652 -5.134 676 HD21 ASN 81 1HD2 ASN 81 -8.525 14.533 -8.356 677 HD22 ASN 81 2HD2 ASN 81 -6.801 14.607 -8.444 678 H LYS 82 H LYS 82 -10.980 13.554 -7.119 679 HA LYS 82 HA LYS 82 -11.468 10.875 -7.557 680 HB2 LYS 82 2HB LYS 82 -11.596 13.169 -9.520 681 HB3 LYS 82 1HB LYS 82 -12.256 11.573 -9.847 682 HG2 LYS 82 2HG LYS 82 -13.092 13.259 -7.499 683 HG3 LYS 82 1HG LYS 82 -13.906 13.293 -9.064 684 HD2 LYS 82 2HD LYS 82 -13.522 10.768 -7.452 685 HD3 LYS 82 1HD LYS 82 -14.950 11.798 -7.315 686 HE2 LYS 82 2HE LYS 82 -15.447 11.474 -9.661 687 HE3 LYS 82 1HE LYS 82 -13.984 10.512 -9.870 688 HZ1 LYS 82 3HZ LYS 82 -14.940 8.930 -8.221 689 HZ2 LYS 82 1HZ LYS 82 -15.827 9.044 -9.658 690 HZ3 LYS 82 2HZ LYS 82 -16.377 9.819 -8.265 691 H LYS 83 H LYS 83 -8.991 12.845 -9.158 692 HA LYS 83 HA LYS 83 -8.103 11.095 -11.107 693 HB2 LYS 83 2HB LYS 83 -6.491 13.031 -9.431 694 HB3 LYS 83 1HB LYS 83 -5.874 12.227 -10.865 695 HG2 LYS 83 2HG LYS 83 -8.257 14.073 -10.826 696 HG3 LYS 83 1HG LYS 83 -6.617 14.546 -11.275 697 HD2 LYS 83 2HD LYS 83 -6.694 12.801 -13.075 698 HD3 LYS 83 1HD LYS 83 -8.394 12.545 -12.681 699 HE2 LYS 83 2HE LYS 83 -8.880 14.882 -13.224 700 HE3 LYS 83 1HE LYS 83 -7.176 15.159 -13.585 701 HZ1 LYS 83 3HZ LYS 83 -9.004 13.334 -15.043 702 HZ2 LYS 83 1HZ LYS 83 -7.353 13.496 -15.362 703 HZ3 LYS 83 2HZ LYS 83 -8.399 14.804 -15.609 704 H ASP 84 H ASP 84 -7.482 10.978 -7.661 705 HA ASP 84 HA ASP 84 -5.243 9.161 -7.941 706 HB2 ASP 84 2HB ASP 84 -6.576 10.244 -5.450 707 HB3 ASP 84 1HB ASP 84 -5.070 9.326 -5.501 708 H ALA 85 H ALA 85 -8.513 8.592 -8.044 709 HA ALA 85 HA ALA 85 -8.566 6.269 -6.310 710 HB1 ALA 85 3HB ALA 85 -10.820 5.914 -7.170 711 HB2 ALA 85 1HB ALA 85 -10.561 7.151 -8.402 712 HB3 ALA 85 2HB ALA 85 -10.593 7.598 -6.698 713 H GLY 86 H GLY 86 -8.490 4.108 -6.905 714 HA2 GLY 86 2HA GLY 86 -8.561 3.054 -9.486 715 HA3 GLY 86 1HA GLY 86 -6.881 3.438 -9.151 716 H TRP 87 H TRP 87 -7.068 0.934 -9.616 717 HA TRP 87 HA TRP 87 -7.338 -0.535 -7.116 718 HB2 TRP 87 2HB TRP 87 -6.621 -1.302 -9.936 719 HB3 TRP 87 1HB TRP 87 -6.260 -2.397 -8.607 720 HD1 TRP 87 HD1 TRP 87 -9.185 -1.003 -10.625 721 HE1 TRP 87 HE1 TRP 87 -11.298 -2.357 -10.058 722 HE3 TRP 87 HE3 TRP 87 -7.359 -3.752 -6.723 723 HZ2 TRP 87 HZ2 TRP 87 -12.082 -4.337 -8.208 724 HZ3 TRP 87 HZ3 TRP 87 -8.855 -5.356 -5.609 725 HH2 TRP 87 HH2 TRP 87 -11.172 -5.640 -6.336 726 H TYR 88 H TYR 88 -5.787 -0.513 -5.642 727 HA TYR 88 HA TYR 88 -3.025 0.106 -6.375 728 HB2 TYR 88 2HB TYR 88 -4.473 -0.052 -3.728 729 HB3 TYR 88 1HB TYR 88 -2.721 0.081 -3.827 730 HD1 TYR 88 HD1 TYR 88 -5.810 1.796 -5.089 731 HD2 TYR 88 HD2 TYR 88 -1.768 2.191 -3.805 732 HE1 TYR 88 HE1 TYR 88 -6.001 4.242 -5.249 733 HE2 TYR 88 HE2 TYR 88 -1.954 4.636 -3.958 734 HH TYR 88 HH TYR 88 -4.971 6.231 -4.439 735 H THR 89 H THR 89 -1.847 -1.571 -6.999 736 HA THR 89 HA THR 89 -2.174 -4.195 -5.709 737 HB THR 89 HB THR 89 -0.567 -3.443 -8.177 738 HG1 THR 89 HG1 THR 89 -2.261 -4.208 -9.330 739 HG21 THR 89 3HG2 THR 89 -1.180 -6.150 -6.978 740 HG22 THR 89 1HG2 THR 89 0.405 -5.375 -7.055 741 HG23 THR 89 2HG2 THR 89 -0.405 -5.883 -8.538 742 H VAL 90 H VAL 90 -0.789 -4.815 -4.158 743 HA VAL 90 HA VAL 90 1.744 -3.326 -3.872 744 HB VAL 90 HB VAL 90 0.301 -2.978 -1.967 745 HG11 VAL 90 1HG1 VAL 90 0.249 -5.985 -1.657 746 HG12 VAL 90 2HG1 VAL 90 -1.105 -4.958 -2.130 747 HG13 VAL 90 3HG1 VAL 90 -0.421 -4.823 -0.510 748 HG21 VAL 90 3HG2 VAL 90 1.782 -3.741 -0.158 749 HG22 VAL 90 1HG2 VAL 90 2.700 -3.123 -1.530 750 HG23 VAL 90 2HG2 VAL 90 2.565 -4.863 -1.272 751 H SER 91 H SER 91 3.596 -4.366 -4.136 752 HA SER 91 HA SER 91 3.660 -7.316 -3.882 753 HB2 SER 91 2HB SER 91 5.243 -5.561 -5.789 754 HB3 SER 91 1HB SER 91 5.487 -7.294 -5.585 755 HG SER 91 HG SER 91 3.381 -7.631 -6.339 756 H ALA 92 H ALA 92 5.088 -8.143 -2.478 757 HA ALA 92 HA ALA 92 7.256 -6.406 -1.455 758 HB1 ALA 92 3HB ALA 92 5.583 -6.956 0.251 759 HB2 ALA 92 1HB ALA 92 7.148 -7.677 0.627 760 HB3 ALA 92 2HB ALA 92 5.854 -8.675 -0.037 761 H VAL 93 H VAL 93 9.198 -6.996 -2.228 762 HA VAL 93 HA VAL 93 9.632 -9.846 -2.873 763 HB VAL 93 HB VAL 93 9.648 -8.501 -4.879 764 HG11 VAL 93 1HG1 VAL 93 11.878 -6.910 -3.615 765 HG12 VAL 93 2HG1 VAL 93 10.240 -6.336 -3.932 766 HG13 VAL 93 3HG1 VAL 93 11.307 -6.748 -5.277 767 HG21 VAL 93 3HG2 VAL 93 11.162 -10.413 -4.788 768 HG22 VAL 93 1HG2 VAL 93 12.439 -9.387 -4.133 769 HG23 VAL 93 2HG2 VAL 93 11.847 -9.119 -5.774 770 H ASN 94 H ASN 94 10.865 -10.840 -1.471 771 HA ASN 94 HA ASN 94 13.303 -9.519 -0.447 772 HB2 ASN 94 2HB ASN 94 11.753 -10.288 1.327 773 HB3 ASN 94 1HB ASN 94 11.812 -11.920 0.672 774 HD21 ASN 94 1HD2 ASN 94 12.594 -12.730 2.627 775 HD22 ASN 94 2HD2 ASN 94 14.220 -12.460 3.143 776 H GLU 95 H GLU 95 15.262 -10.950 -0.342 777 HA GLU 95 HA GLU 95 15.805 -12.203 -2.787 778 HB2 GLU 95 2HB GLU 95 17.858 -13.027 -1.781 779 HB3 GLU 95 1HB GLU 95 17.564 -11.375 -1.255 780 HG2 GLU 95 2HG GLU 95 16.845 -12.110 0.905 781 HG3 GLU 95 1HG GLU 95 16.844 -13.795 0.391 782 H ALA 96 H ALA 96 14.600 -13.547 0.230 783 HA ALA 96 HA ALA 96 14.868 -16.293 -0.486 784 HB1 ALA 96 3HB ALA 96 13.541 -16.738 1.503 785 HB2 ALA 96 1HB ALA 96 13.111 -15.029 1.614 786 HB3 ALA 96 2HB ALA 96 14.788 -15.533 1.834 787 H GLY 97 H GLY 97 12.489 -13.914 -1.340 788 HA2 GLY 97 2HA GLY 97 11.085 -15.425 -3.159 789 HA3 GLY 97 1HA GLY 97 10.259 -15.717 -1.638 790 H VAL 98 H VAL 98 8.633 -14.696 -3.363 791 HA VAL 98 HA VAL 98 8.345 -11.865 -2.634 792 HB VAL 98 HB VAL 98 9.433 -11.857 -4.835 793 HG11 VAL 98 1HG1 VAL 98 8.691 -14.029 -5.657 794 HG12 VAL 98 2HG1 VAL 98 8.292 -12.762 -6.816 795 HG13 VAL 98 3HG1 VAL 98 7.035 -13.438 -5.781 796 HG21 VAL 98 3HG2 VAL 98 7.861 -10.062 -4.318 797 HG22 VAL 98 1HG2 VAL 98 6.529 -11.017 -4.968 798 HG23 VAL 98 2HG2 VAL 98 7.812 -10.450 -6.038 799 H THR 99 H THR 99 6.211 -11.086 -2.610 800 HA THR 99 HA THR 99 4.021 -12.911 -3.322 801 HB THR 99 HB THR 99 4.382 -13.375 -0.953 802 HG1 THR 99 HG1 THR 99 2.269 -12.929 -0.259 803 HG21 THR 99 3HG2 THR 99 3.940 -10.417 -0.509 804 HG22 THR 99 1HG2 THR 99 5.469 -11.275 -0.307 805 HG23 THR 99 2HG2 THR 99 4.106 -11.638 0.752 806 H THR 100 H THR 100 2.093 -11.882 -3.890 807 HA THR 100 HA THR 100 2.111 -8.923 -3.909 808 HB THR 100 HB THR 100 1.346 -10.694 -6.248 809 HG1 THR 100 HG1 THR 100 3.234 -10.140 -7.098 810 HG21 THR 100 3HG2 THR 100 -0.108 -8.717 -6.112 811 HG22 THR 100 1HG2 THR 100 0.993 -8.605 -7.486 812 HG23 THR 100 2HG2 THR 100 1.314 -7.676 -6.022 813 H CYS 101 H CYS 101 0.128 -7.905 -3.670 814 HA CYS 101 HA CYS 101 -2.328 -9.517 -3.654 815 HB2 CYS 101 2HB CYS 101 -1.524 -9.472 -1.312 816 HB3 CYS 101 1HB CYS 101 -1.548 -7.711 -1.350 817 HG CYS 101 HG CYS 101 -4.103 -9.891 -1.079 818 H ASN 102 H ASN 102 -4.327 -8.037 -3.424 819 HA ASN 102 HA ASN 102 -3.833 -5.473 -4.811 820 HB2 ASN 102 2HB ASN 102 -6.008 -7.456 -5.535 821 HB3 ASN 102 1HB ASN 102 -5.720 -5.899 -6.307 822 HD21 ASN 102 1HD2 ASN 102 -3.882 -5.660 -7.640 823 HD22 ASN 102 2HD2 ASN 102 -3.063 -7.037 -8.282 824 H THR 103 H THR 103 -5.114 -3.776 -4.285 825 HA THR 103 HA THR 103 -7.529 -4.176 -2.666 826 HB THR 103 HB THR 103 -5.191 -2.450 -1.816 827 HG1 THR 103 HG1 THR 103 -6.492 -4.206 -0.088 828 HG21 THR 103 3HG2 THR 103 -7.261 -1.175 -1.477 829 HG22 THR 103 1HG2 THR 103 -6.592 -1.702 0.067 830 HG23 THR 103 2HG2 THR 103 -7.976 -2.545 -0.627 831 H ARG 104 H ARG 104 -9.014 -2.389 -2.751 832 HA ARG 104 HA ARG 104 -8.553 -0.719 -5.150 833 HB2 ARG 104 2HB ARG 104 -10.404 -2.497 -5.139 834 HB3 ARG 104 1HB ARG 104 -11.255 -1.444 -4.015 835 HG2 ARG 104 2HG ARG 104 -11.181 0.361 -5.719 836 HG3 ARG 104 1HG ARG 104 -10.434 -0.777 -6.838 837 HD2 ARG 104 2HD ARG 104 -12.732 -0.781 -7.383 838 HD3 ARG 104 1HD ARG 104 -12.464 -2.265 -6.465 839 HE ARG 104 HE ARG 104 -13.275 -0.073 -4.815 840 HH11 ARG 104 1HH1 ARG 104 -14.487 -2.526 -6.925 841 HH12 ARG 104 2HH1 ARG 104 -16.050 -2.511 -6.193 842 HH21 ARG 104 1HH2 ARG 104 -15.256 -0.052 -3.923 843 HH22 ARG 104 2HH2 ARG 104 -16.485 -1.131 -4.494 844 H LEU 105 H LEU 105 -9.019 1.473 -5.127 845 HA LEU 105 HA LEU 105 -9.974 2.629 -2.576 846 HB2 LEU 105 2HB LEU 105 -7.576 3.085 -2.914 847 HB3 LEU 105 1HB LEU 105 -7.934 3.823 -4.464 848 HG LEU 105 HG LEU 105 -9.241 5.588 -3.305 849 HD11 LEU 105 1HD1 LEU 105 -9.046 5.821 -0.865 850 HD12 LEU 105 2HD1 LEU 105 -8.252 4.248 -0.787 851 HD13 LEU 105 3HD1 LEU 105 -9.926 4.366 -1.330 852 HD21 LEU 105 3HD2 LEU 105 -6.403 5.280 -2.316 853 HD22 LEU 105 1HD2 LEU 105 -7.331 6.781 -2.345 854 HD23 LEU 105 2HD2 LEU 105 -6.898 5.984 -3.856 855 H ASP 106 H ASP 106 -11.877 3.613 -2.801 856 HA ASP 106 HA ASP 106 -12.720 4.493 -5.487 857 HB2 ASP 106 2HB ASP 106 -14.414 3.745 -3.089 858 HB3 ASP 106 1HB ASP 106 -15.012 4.138 -4.697 859 H VAL 107 H VAL 107 -12.626 6.653 -5.761 860 HA VAL 107 HA VAL 107 -13.279 8.398 -3.468 861 HB VAL 107 HB VAL 107 -11.646 9.114 -5.920 862 HG11 VAL 107 1HG1 VAL 107 -12.230 10.704 -3.413 863 HG12 VAL 107 2HG1 VAL 107 -12.873 11.027 -5.023 864 HG13 VAL 107 3HG1 VAL 107 -11.146 11.196 -4.717 865 HG21 VAL 107 3HG2 VAL 107 -10.441 7.566 -4.457 866 HG22 VAL 107 1HG2 VAL 107 -10.758 8.608 -3.071 867 HG23 VAL 107 2HG2 VAL 107 -9.727 9.178 -4.385 868 H THR 108 H THR 108 -14.987 9.720 -3.604 869 HA THR 108 HA THR 108 -16.425 9.897 -6.181 870 HB THR 108 HB THR 108 -17.566 10.007 -3.370 871 HG1 THR 108 HG1 THR 108 -18.673 8.087 -4.786 872 HG21 THR 108 3HG2 THR 108 -19.775 10.039 -4.467 873 HG22 THR 108 1HG2 THR 108 -18.988 10.156 -6.040 874 HG23 THR 108 2HG2 THR 108 -18.833 11.472 -4.877 875 H ALA 109 H ALA 109 -17.364 11.900 -6.765 876 HA ALA 109 HA ALA 109 -15.759 14.158 -6.042 877 HB1 ALA 109 3HB ALA 109 -18.212 14.001 -7.799 878 HB2 ALA 109 1HB ALA 109 -16.539 13.826 -8.335 879 HB3 ALA 109 2HB ALA 109 -17.103 15.370 -7.695 880 H ARG 110 H ARG 110 -16.143 15.645 -4.532 881 HA ARG 110 HA ARG 110 -18.230 15.303 -2.659 882 HB2 ARG 110 2HB ARG 110 -16.194 17.462 -3.071 883 HB3 ARG 110 1HB ARG 110 -17.509 17.723 -1.936 884 HG2 ARG 110 2HG ARG 110 -16.794 15.538 -0.839 885 HG3 ARG 110 1HG ARG 110 -15.326 15.663 -1.812 886 HD2 ARG 110 2HD ARG 110 -14.855 17.857 -0.833 887 HD3 ARG 110 1HD ARG 110 -16.332 17.760 0.123 888 HE ARG 110 HE ARG 110 -14.705 15.525 0.676 889 HH11 ARG 110 1HH1 ARG 110 -14.821 18.924 1.213 890 HH12 ARG 110 2HH1 ARG 110 -13.902 18.837 2.669 891 HH21 ARG 110 1HH2 ARG 110 -13.518 15.426 2.544 892 HH22 ARG 110 2HH2 ARG 110 -13.162 16.879 3.415 893 HA PRO 111 HA PRO 111 -21.463 17.890 -4.475 894 HB2 PRO 111 2HB PRO 111 -23.188 17.747 -2.384 895 HB3 PRO 111 1HB PRO 111 -22.985 16.421 -3.537 896 HG2 PRO 111 2HG PRO 111 -21.824 16.741 -0.793 897 HG3 PRO 111 1HG PRO 111 -22.518 15.298 -1.552 898 HD2 PRO 111 2HD PRO 111 -19.831 15.752 -1.370 899 HD3 PRO 111 1HD PRO 111 -20.571 14.797 -2.673 900 H ASN 112 H ASN 112 -19.527 18.337 -1.696 901 HA ASN 112 HA ASN 112 -20.151 21.211 -1.657 902 HB2 ASN 112 2HB ASN 112 -19.789 21.182 0.830 903 HB3 ASN 112 1HB ASN 112 -21.241 20.343 0.296 904 HD21 ASN 112 1HD2 ASN 112 -19.643 20.045 2.742 905 HD22 ASN 112 2HD2 ASN 112 -19.189 18.376 2.800 906 H GLN 113 H GLN 113 -18.266 21.438 -3.019 907 HA GLN 113 HA GLN 113 -15.682 21.110 -1.686 908 HB2 GLN 113 2HB GLN 113 -16.483 22.069 -4.437 909 HB3 GLN 113 1HB GLN 113 -14.834 22.215 -3.842 910 HG2 GLN 113 2HG GLN 113 -14.706 19.790 -3.558 911 HG3 GLN 113 1HG GLN 113 -16.369 19.630 -4.123 912 HE21 GLN 113 1HE2 GLN 113 -15.652 18.273 -5.817 913 HE22 GLN 113 2HE2 GLN 113 -14.865 18.921 -7.209 914 H THR 114 H THR 114 -18.133 23.453 -2.064 915 HA THR 114 HA THR 114 -16.396 25.629 -1.115 916 HB THR 114 HB THR 114 -18.316 27.114 -1.461 917 HG1 THR 114 HG1 THR 114 -20.118 25.949 -1.088 918 HG21 THR 114 3HG2 THR 114 -18.514 26.941 -3.893 919 HG22 THR 114 1HG2 THR 114 -17.904 25.287 -3.838 920 HG23 THR 114 2HG2 THR 114 -16.853 26.630 -3.388 921 H LEU 115 H LEU 115 -16.005 25.146 1.028 922 HA LEU 115 HA LEU 115 -18.212 24.395 2.790 923 HB2 LEU 115 2HB LEU 115 -15.227 24.584 3.204 924 HB3 LEU 115 1HB LEU 115 -16.338 24.280 4.524 925 HG LEU 115 HG LEU 115 -17.100 22.208 3.333 926 HD11 LEU 115 1HD1 LEU 115 -15.713 21.293 1.549 927 HD12 LEU 115 2HD1 LEU 115 -14.759 22.776 1.516 928 HD13 LEU 115 3HD1 LEU 115 -16.463 22.812 1.060 929 HD21 LEU 115 3HD2 LEU 115 -14.159 22.369 4.010 930 HD22 LEU 115 1HD2 LEU 115 -15.115 20.889 3.914 931 HD23 LEU 115 2HD2 LEU 115 -15.479 22.095 5.148 932 HA PRO 116 HA PRO 116 -18.772 28.715 4.035 933 HB2 PRO 116 2HB PRO 116 -20.545 27.470 6.062 934 HB3 PRO 116 1HB PRO 116 -20.912 28.708 4.856 935 HG2 PRO 116 2HG PRO 116 -21.820 26.210 4.586 936 HG3 PRO 116 1HG PRO 116 -21.289 27.152 3.176 937 HD2 PRO 116 2HD PRO 116 -19.833 24.994 4.676 938 HD3 PRO 116 1HD PRO 116 -19.952 25.259 2.924 Start of MODEL 12 1 H1 MET 1 1H MET 1 41.696 -19.489 3.457 2 H2 MET 1 2H MET 1 40.836 -20.721 2.678 3 H3 MET 1 3H MET 1 42.425 -20.379 2.214 4 HA MET 1 HA MET 1 42.295 -22.392 3.553 5 HB2 MET 1 2HB MET 1 43.701 -20.060 4.878 6 HB3 MET 1 1HB MET 1 44.036 -21.753 5.215 7 HG2 MET 1 2HG MET 1 44.716 -22.067 2.870 8 HG3 MET 1 1HG MET 1 44.432 -20.353 2.577 9 HE1 MET 1 3HE MET 1 47.161 -18.707 4.891 10 HE2 MET 1 1HE MET 1 45.511 -19.106 5.369 11 HE3 MET 1 2HE MET 1 45.826 -18.406 3.780 12 H GLY 2 H GLY 2 39.855 -20.622 4.272 13 HA2 GLY 2 2HA GLY 2 39.761 -20.720 7.164 14 HA3 GLY 2 1HA GLY 2 38.480 -20.188 6.091 15 H HIS 3 H HIS 3 40.078 -23.058 7.402 16 HA HIS 3 HA HIS 3 37.969 -24.813 6.472 17 HB2 HIS 3 2HB HIS 3 39.219 -26.600 7.638 18 HB3 HIS 3 1HB HIS 3 40.237 -25.684 6.536 19 HD1 HIS 3 HD1 HIS 3 39.718 -26.413 10.166 20 HD2 HIS 3 HD2 HIS 3 42.313 -24.231 7.761 21 HE1 HIS 3 HE1 HIS 3 41.635 -25.772 11.650 22 HE2 HIS 3 HE2 HIS 3 43.276 -24.640 10.124 23 H HIS 4 H HIS 4 36.034 -24.591 7.437 24 HA HIS 4 HA HIS 4 35.935 -24.785 10.377 25 HB2 HIS 4 2HB HIS 4 33.909 -23.302 10.324 26 HB3 HIS 4 1HB HIS 4 35.414 -22.498 9.886 27 HD1 HIS 4 HD1 HIS 4 35.680 -21.751 7.405 28 HD2 HIS 4 HD2 HIS 4 31.972 -23.397 8.316 29 HE1 HIS 4 HE1 HIS 4 34.189 -21.160 5.475 30 HE2 HIS 4 HE2 HIS 4 31.995 -22.285 5.980 31 H HIS 5 H HIS 5 34.989 -26.603 10.970 32 HA HIS 5 HA HIS 5 33.065 -27.907 9.140 33 HB2 HIS 5 2HB HIS 5 34.814 -29.113 11.303 34 HB3 HIS 5 1HB HIS 5 33.680 -30.013 10.303 35 HD1 HIS 5 HD1 HIS 5 34.761 -31.146 8.405 36 HD2 HIS 5 HD2 HIS 5 36.820 -27.716 9.511 37 HE1 HIS 5 HE1 HIS 5 36.749 -31.042 6.883 38 HE2 HIS 5 HE2 HIS 5 38.080 -29.075 7.706 39 H HIS 6 H HIS 6 33.466 -26.683 12.386 40 HA HIS 6 HA HIS 6 31.326 -28.209 13.537 41 HB2 HIS 6 2HB HIS 6 32.889 -25.843 14.593 42 HB3 HIS 6 1HB HIS 6 31.710 -26.754 15.534 43 HD1 HIS 6 HD1 HIS 6 32.389 -29.102 16.336 44 HD2 HIS 6 HD2 HIS 6 35.340 -27.171 14.142 45 HE1 HIS 6 HE1 HIS 6 34.460 -30.481 16.639 46 HE2 HIS 6 HE2 HIS 6 36.271 -29.183 15.474 47 H HIS 7 H HIS 7 31.612 -24.861 12.355 48 HA HIS 7 HA HIS 7 28.660 -24.688 12.497 49 HB2 HIS 7 2HB HIS 7 30.707 -22.470 12.739 50 HB3 HIS 7 1HB HIS 7 28.993 -22.173 12.473 51 HD1 HIS 7 HD1 HIS 7 30.835 -21.471 15.078 52 HD2 HIS 7 HD2 HIS 7 27.918 -24.411 14.715 53 HE1 HIS 7 HE1 HIS 7 30.043 -21.930 17.414 54 HE2 HIS 7 HE2 HIS 7 28.296 -23.714 17.176 55 H HIS 8 H HIS 8 27.729 -24.855 10.562 56 HA HIS 8 HA HIS 8 29.248 -24.065 8.161 57 HB2 HIS 8 2HB HIS 8 28.323 -26.434 8.429 58 HB3 HIS 8 1HB HIS 8 26.723 -25.732 8.216 59 HD1 HIS 8 HD1 HIS 8 25.962 -25.366 5.833 60 HD2 HIS 8 HD2 HIS 8 30.035 -26.135 6.121 61 HE1 HIS 8 HE1 HIS 8 26.763 -25.627 3.470 62 HE2 HIS 8 HE2 HIS 8 29.192 -26.254 3.679 63 H SER 9 H SER 9 26.346 -23.363 9.976 64 HA SER 9 HA SER 9 26.039 -20.821 8.746 65 HB2 SER 9 2HB SER 9 24.989 -22.003 6.914 66 HB3 SER 9 1HB SER 9 23.958 -22.902 8.026 67 HG SER 9 HG SER 9 23.549 -20.484 6.923 68 H HIS 10 H HIS 10 24.352 -19.531 9.692 69 HA HIS 10 HA HIS 10 22.827 -20.637 11.920 70 HB2 HIS 10 2HB HIS 10 25.097 -19.957 12.811 71 HB3 HIS 10 1HB HIS 10 24.710 -18.302 12.361 72 HD1 HIS 10 HD1 HIS 10 22.764 -17.150 13.731 73 HD2 HIS 10 HD2 HIS 10 23.990 -20.843 15.171 74 HE1 HIS 10 HE1 HIS 10 21.861 -17.289 16.064 75 HE2 HIS 10 HE2 HIS 10 22.752 -19.457 16.969 76 H GLU 11 H GLU 11 22.678 -19.033 9.210 77 HA GLU 11 HA GLU 11 21.075 -16.738 10.134 78 HB2 GLU 11 2HB GLU 11 22.176 -17.353 7.378 79 HB3 GLU 11 1HB GLU 11 21.281 -15.904 7.822 80 HG2 GLU 11 2HG GLU 11 23.078 -15.341 9.430 81 HG3 GLU 11 1HG GLU 11 23.987 -16.736 8.853 82 H HIS 12 H HIS 12 18.943 -16.469 9.577 83 HA HIS 12 HA HIS 12 17.616 -18.764 8.274 84 HB2 HIS 12 2HB HIS 12 16.462 -16.657 10.121 85 HB3 HIS 12 1HB HIS 12 15.547 -17.972 9.385 86 HD1 HIS 12 HD1 HIS 12 17.245 -17.128 12.408 87 HD2 HIS 12 HD2 HIS 12 16.720 -20.615 10.210 88 HE1 HIS 12 HE1 HIS 12 17.739 -19.004 14.001 89 HE2 HIS 12 HE2 HIS 12 17.353 -21.105 12.671 90 H LYS 13 H LYS 13 16.528 -18.523 6.419 91 HA LYS 13 HA LYS 13 16.022 -15.796 5.388 92 HB2 LYS 13 2HB LYS 13 16.490 -18.358 3.835 93 HB3 LYS 13 1HB LYS 13 16.064 -16.808 3.120 94 HG2 LYS 13 2HG LYS 13 18.164 -15.855 4.000 95 HG3 LYS 13 1HG LYS 13 18.593 -17.451 4.628 96 HD2 LYS 13 2HD LYS 13 18.523 -18.365 2.349 97 HD3 LYS 13 1HD LYS 13 18.088 -16.772 1.723 98 HE2 LYS 13 2HE LYS 13 20.653 -17.477 3.151 99 HE3 LYS 13 1HE LYS 13 20.466 -17.239 1.415 100 HZ1 LYS 13 3HZ LYS 13 19.925 -15.155 3.453 101 HZ2 LYS 13 1HZ LYS 13 19.914 -14.951 1.776 102 HZ3 LYS 13 2HZ LYS 13 21.366 -15.279 2.585 103 H ARG 14 H ARG 14 13.931 -15.249 5.070 104 HA ARG 14 HA ARG 14 11.938 -17.379 4.668 105 HB2 ARG 14 2HB ARG 14 11.990 -16.617 7.084 106 HB3 ARG 14 1HB ARG 14 11.490 -15.027 6.526 107 HG2 ARG 14 2HG ARG 14 9.568 -16.221 7.331 108 HG3 ARG 14 1HG ARG 14 9.437 -16.047 5.579 109 HD2 ARG 14 2HD ARG 14 10.259 -18.338 5.291 110 HD3 ARG 14 1HD ARG 14 10.403 -18.511 7.040 111 HE ARG 14 HE ARG 14 7.879 -18.271 5.547 112 HH11 ARG 14 1HH1 ARG 14 9.612 -19.151 8.392 113 HH12 ARG 14 2HH1 ARG 14 8.252 -19.937 9.110 114 HH21 ARG 14 1HH2 ARG 14 6.140 -19.290 6.470 115 HH22 ARG 14 2HH2 ARG 14 6.322 -20.045 8.018 116 H ALA 15 H ALA 15 10.621 -16.968 2.983 117 HA ALA 15 HA ALA 15 10.766 -14.515 1.523 118 HB1 ALA 15 3HB ALA 15 8.838 -16.823 1.248 119 HB2 ALA 15 1HB ALA 15 10.375 -16.646 0.402 120 HB3 ALA 15 2HB ALA 15 9.056 -15.520 0.078 121 HA PRO 16 HA PRO 16 7.745 -12.019 3.548 122 HB2 PRO 16 2HB PRO 16 6.542 -10.798 1.377 123 HB3 PRO 16 1HB PRO 16 8.083 -10.303 2.083 124 HG2 PRO 16 2HG PRO 16 7.562 -12.024 -0.313 125 HG3 PRO 16 1HG PRO 16 8.776 -10.749 -0.091 126 HD2 PRO 16 2HD PRO 16 9.433 -13.341 0.077 127 HD3 PRO 16 1HD PRO 16 10.186 -12.129 1.135 128 H MET 17 H MET 17 5.838 -12.479 4.419 129 HA MET 17 HA MET 17 3.838 -13.978 2.838 130 HB2 MET 17 2HB MET 17 4.777 -15.485 4.432 131 HB3 MET 17 1HB MET 17 4.689 -14.292 5.719 132 HG2 MET 17 2HG MET 17 2.999 -16.056 5.936 133 HG3 MET 17 1HG MET 17 2.288 -14.452 5.774 134 HE1 MET 17 3HE MET 17 0.625 -17.128 5.424 135 HE2 MET 17 1HE MET 17 -0.336 -16.733 3.999 136 HE3 MET 17 2HE MET 17 -0.068 -15.515 5.246 137 H PHE 18 H PHE 18 1.992 -12.867 2.534 138 HA PHE 18 HA PHE 18 1.288 -10.574 4.114 139 HB2 PHE 18 2HB PHE 18 -0.062 -12.062 1.873 140 HB3 PHE 18 1HB PHE 18 -0.944 -10.843 2.785 141 HD1 PHE 18 HD1 PHE 18 0.012 -8.487 2.872 142 HD2 PHE 18 HD2 PHE 18 1.356 -11.434 0.104 143 HE1 PHE 18 HE1 PHE 18 0.932 -6.714 1.433 144 HE2 PHE 18 HE2 PHE 18 2.280 -9.665 -1.331 145 HZ PHE 18 HZ PHE 18 2.069 -7.302 -0.672 146 H ILE 19 H ILE 19 0.773 -10.961 6.195 147 HA ILE 19 HA ILE 19 -0.854 -13.184 7.044 148 HB ILE 19 HB ILE 19 -0.138 -10.684 8.600 149 HG12 ILE 19 2HG1 ILE 19 1.328 -13.338 8.496 150 HG13 ILE 19 1HG1 ILE 19 1.879 -11.848 7.738 151 HG21 ILE 19 1HG2 ILE 19 -0.990 -13.431 9.539 152 HG22 ILE 19 2HG2 ILE 19 -1.976 -11.968 9.577 153 HG23 ILE 19 3HG2 ILE 19 -0.529 -12.080 10.578 154 HD11 ILE 19 3HD1 ILE 19 1.498 -12.279 10.694 155 HD12 ILE 19 1HD1 ILE 19 2.069 -10.798 9.926 156 HD13 ILE 19 2HD1 ILE 19 3.037 -12.271 9.833 157 H TYR 20 H TYR 20 -1.359 -9.744 6.428 158 HA TYR 20 HA TYR 20 -4.259 -10.245 6.323 159 HB2 TYR 20 2HB TYR 20 -2.944 -7.839 7.616 160 HB3 TYR 20 1HB TYR 20 -4.669 -7.986 7.294 161 HD1 TYR 20 HD1 TYR 20 -5.948 -9.875 8.458 162 HD2 TYR 20 HD2 TYR 20 -2.018 -8.700 9.590 163 HE1 TYR 20 HE1 TYR 20 -6.259 -10.955 10.645 164 HE2 TYR 20 HE2 TYR 20 -2.316 -9.773 11.779 165 HH TYR 20 HH TYR 20 -4.102 -10.482 13.261 166 H LYS 21 H LYS 21 -5.284 -9.313 4.607 167 HA LYS 21 HA LYS 21 -3.659 -7.720 2.749 168 HB2 LYS 21 2HB LYS 21 -5.468 -8.203 1.104 169 HB3 LYS 21 1HB LYS 21 -4.702 -9.651 1.745 170 HG2 LYS 21 2HG LYS 21 -6.600 -9.962 3.280 171 HG3 LYS 21 1HG LYS 21 -7.373 -8.529 2.593 172 HD2 LYS 21 2HD LYS 21 -7.418 -9.629 0.387 173 HD3 LYS 21 1HD LYS 21 -6.668 -11.063 1.092 174 HE2 LYS 21 2HE LYS 21 -9.088 -11.345 0.860 175 HE3 LYS 21 1HE LYS 21 -8.602 -11.368 2.555 176 HZ1 LYS 21 3HZ LYS 21 -9.329 -9.087 2.772 177 HZ2 LYS 21 1HZ LYS 21 -10.596 -10.033 2.175 178 HZ3 LYS 21 2HZ LYS 21 -9.735 -9.019 1.132 179 HA PRO 22 HA PRO 22 -5.968 -4.066 3.779 180 HB2 PRO 22 2HB PRO 22 -5.423 -2.742 1.310 181 HB3 PRO 22 1HB PRO 22 -4.533 -2.611 2.825 182 HG2 PRO 22 2HG PRO 22 -3.585 -3.767 0.468 183 HG3 PRO 22 1HG PRO 22 -2.875 -3.962 2.078 184 HD2 PRO 22 2HD PRO 22 -4.637 -5.814 0.537 185 HD3 PRO 22 1HD PRO 22 -3.338 -6.185 1.692 186 H GLN 23 H GLN 23 -8.107 -3.738 3.771 187 HA GLN 23 HA GLN 23 -9.697 -4.547 1.460 188 HB2 GLN 23 2HB GLN 23 -10.374 -3.894 4.320 189 HB3 GLN 23 1HB GLN 23 -11.633 -3.948 3.096 190 HG2 GLN 23 2HG GLN 23 -11.556 -6.050 4.236 191 HG3 GLN 23 1HG GLN 23 -11.006 -6.275 2.579 192 HE21 GLN 23 1HE2 GLN 23 -9.079 -4.916 5.197 193 HE22 GLN 23 2HE2 GLN 23 -7.944 -6.214 5.265 194 H SER 24 H SER 24 -11.196 -3.227 0.417 195 HA SER 24 HA SER 24 -10.181 -0.666 -0.208 196 HB2 SER 24 2HB SER 24 -12.197 -0.490 -1.685 197 HB3 SER 24 1HB SER 24 -11.271 -1.973 -1.911 198 HG SER 24 HG SER 24 -13.494 -1.871 -0.160 199 H LYS 25 H LYS 25 -10.701 1.337 0.389 200 HA LYS 25 HA LYS 25 -13.095 1.800 2.066 201 HB2 LYS 25 2HB LYS 25 -10.337 2.988 2.173 202 HB3 LYS 25 1HB LYS 25 -11.701 3.975 2.667 203 HG2 LYS 25 2HG LYS 25 -10.675 2.948 4.594 204 HG3 LYS 25 1HG LYS 25 -12.299 2.302 4.360 205 HD2 LYS 25 2HD LYS 25 -11.372 0.287 3.349 206 HD3 LYS 25 1HD LYS 25 -9.738 0.935 3.516 207 HE2 LYS 25 2HE LYS 25 -9.864 0.851 5.896 208 HE3 LYS 25 1HE LYS 25 -11.591 0.501 5.853 209 HZ1 LYS 25 3HZ LYS 25 -10.238 -1.461 6.317 210 HZ2 LYS 25 1HZ LYS 25 -9.476 -1.300 4.816 211 HZ3 LYS 25 2HZ LYS 25 -11.134 -1.633 4.891 212 H LYS 26 H LYS 26 -14.275 3.751 1.679 213 HA LYS 26 HA LYS 26 -13.702 5.067 -0.902 214 HB2 LYS 26 2HB LYS 26 -16.139 5.330 -1.219 215 HB3 LYS 26 1HB LYS 26 -15.653 3.641 -1.143 216 HG2 LYS 26 2HG LYS 26 -16.385 3.580 1.226 217 HG3 LYS 26 1HG LYS 26 -16.963 5.239 1.056 218 HD2 LYS 26 2HD LYS 26 -18.486 4.486 -0.746 219 HD3 LYS 26 1HD LYS 26 -17.942 2.827 -0.484 220 HE2 LYS 26 2HE LYS 26 -19.371 4.596 1.507 221 HE3 LYS 26 1HE LYS 26 -20.044 3.197 0.669 222 HZ1 LYS 26 3HZ LYS 26 -19.366 2.685 2.945 223 HZ2 LYS 26 1HZ LYS 26 -17.773 3.111 2.580 224 HZ3 LYS 26 2HZ LYS 26 -18.484 1.780 1.821 225 H VAL 27 H VAL 27 -13.054 7.092 -0.562 226 HA VAL 27 HA VAL 27 -14.195 8.624 1.702 227 HB VAL 27 HB VAL 27 -12.133 9.989 1.662 228 HG11 VAL 27 1HG1 VAL 27 -10.633 8.311 2.633 229 HG12 VAL 27 2HG1 VAL 27 -11.614 7.022 1.935 230 HG13 VAL 27 3HG1 VAL 27 -12.295 8.074 3.177 231 HG21 VAL 27 3HG2 VAL 27 -11.196 8.006 -0.427 232 HG22 VAL 27 1HG2 VAL 27 -10.180 9.218 0.358 233 HG23 VAL 27 2HG2 VAL 27 -11.513 9.723 -0.679 234 H LEU 28 H LEU 28 -13.917 11.121 1.269 235 HA LEU 28 HA LEU 28 -15.238 11.684 -1.289 236 HB2 LEU 28 2HB LEU 28 -14.922 13.358 1.204 237 HB3 LEU 28 1HB LEU 28 -15.731 13.904 -0.251 238 HG LEU 28 HG LEU 28 -16.616 11.565 1.453 239 HD11 LEU 28 1HD1 LEU 28 -16.920 13.668 2.632 240 HD12 LEU 28 2HD1 LEU 28 -18.476 13.024 2.115 241 HD13 LEU 28 3HD1 LEU 28 -17.737 14.361 1.231 242 HD21 LEU 28 3HD2 LEU 28 -17.236 11.286 -0.882 243 HD22 LEU 28 1HD2 LEU 28 -17.929 12.909 -0.916 244 HD23 LEU 28 2HD2 LEU 28 -18.658 11.656 0.091 245 H GLU 29 H GLU 29 -14.633 13.604 -2.529 246 HA GLU 29 HA GLU 29 -11.875 13.713 -3.106 247 HB2 GLU 29 2HB GLU 29 -14.062 15.664 -3.866 248 HB3 GLU 29 1HB GLU 29 -12.448 15.645 -4.560 249 HG2 GLU 29 2HG GLU 29 -12.894 13.316 -5.351 250 HG3 GLU 29 1HG GLU 29 -14.559 13.505 -4.800 251 H GLY 30 H GLY 30 -10.419 14.443 -1.681 252 HA2 GLY 30 2HA GLY 30 -9.318 16.511 -0.936 253 HA3 GLY 30 1HA GLY 30 -10.893 17.088 -0.425 254 H ASP 31 H ASP 31 -10.768 13.867 0.375 255 HA ASP 31 HA ASP 31 -9.918 14.490 3.124 256 HB2 ASP 31 2HB ASP 31 -11.677 12.325 1.978 257 HB3 ASP 31 1HB ASP 31 -11.057 12.245 3.627 258 H SER 32 H SER 32 -9.241 12.136 4.187 259 HA SER 32 HA SER 32 -6.957 11.156 2.589 260 HB2 SER 32 2HB SER 32 -5.583 11.122 4.642 261 HB3 SER 32 1HB SER 32 -6.126 12.752 4.249 262 HG SER 32 HG SER 32 -7.577 11.119 6.046 263 H VAL 33 H VAL 33 -6.370 9.004 2.841 264 HA VAL 33 HA VAL 33 -8.135 7.324 4.521 265 HB VAL 33 HB VAL 33 -8.837 7.219 2.147 266 HG11 VAL 33 1HG1 VAL 33 -6.061 6.129 1.663 267 HG12 VAL 33 2HG1 VAL 33 -6.708 7.661 1.074 268 HG13 VAL 33 3HG1 VAL 33 -7.380 6.141 0.487 269 HG21 VAL 33 3HG2 VAL 33 -8.860 4.779 1.937 270 HG22 VAL 33 1HG2 VAL 33 -9.188 5.279 3.595 271 HG23 VAL 33 2HG2 VAL 33 -7.596 4.653 3.161 272 H LYS 34 H LYS 34 -7.228 5.328 5.257 273 HA LYS 34 HA LYS 34 -4.287 5.119 5.029 274 HB2 LYS 34 2HB LYS 34 -4.236 4.265 7.328 275 HB3 LYS 34 1HB LYS 34 -4.931 5.878 7.266 276 HG2 LYS 34 2HG LYS 34 -7.177 4.931 7.440 277 HG3 LYS 34 1HG LYS 34 -6.493 3.305 7.479 278 HD2 LYS 34 2HD LYS 34 -5.292 3.887 9.561 279 HD3 LYS 34 1HD LYS 34 -6.040 5.485 9.530 280 HE2 LYS 34 2HE LYS 34 -8.256 4.442 9.687 281 HE3 LYS 34 1HE LYS 34 -7.505 2.847 9.723 282 HZ1 LYS 34 3HZ LYS 34 -7.174 4.987 11.750 283 HZ2 LYS 34 1HZ LYS 34 -6.375 3.495 11.778 284 HZ3 LYS 34 2HZ LYS 34 -8.058 3.558 11.936 285 H LEU 35 H LEU 35 -3.492 3.210 4.362 286 HA LEU 35 HA LEU 35 -5.219 0.808 4.485 287 HB2 LEU 35 2HB LEU 35 -3.255 1.566 2.309 288 HB3 LEU 35 1HB LEU 35 -4.125 0.045 2.388 289 HG LEU 35 HG LEU 35 -5.400 2.774 2.039 290 HD11 LEU 35 1HD1 LEU 35 -5.878 2.036 -0.244 291 HD12 LEU 35 2HD1 LEU 35 -4.971 0.551 0.038 292 HD13 LEU 35 3HD1 LEU 35 -4.144 2.110 0.063 293 HD21 LEU 35 3HD2 LEU 35 -6.874 1.245 3.224 294 HD22 LEU 35 1HD2 LEU 35 -6.622 0.007 1.990 295 HD23 LEU 35 2HD2 LEU 35 -7.456 1.508 1.582 296 H GLU 36 H GLU 36 -4.369 -0.645 5.891 297 HA GLU 36 HA GLU 36 -1.427 -0.844 6.087 298 HB2 GLU 36 2HB GLU 36 -1.667 -1.302 8.504 299 HB3 GLU 36 1HB GLU 36 -2.226 0.305 8.061 300 HG2 GLU 36 2HG GLU 36 -4.521 -0.376 8.229 301 HG3 GLU 36 1HG GLU 36 -4.053 -2.060 8.460 302 H CYS 37 H CYS 37 -0.523 -2.851 6.545 303 HA CYS 37 HA CYS 37 -2.182 -5.212 6.862 304 HB2 CYS 37 2HB CYS 37 -1.222 -6.363 4.882 305 HB3 CYS 37 1HB CYS 37 -2.223 -4.985 4.440 306 HG CYS 37 HG CYS 37 0.124 -5.308 2.788 307 H GLN 38 H GLN 38 -0.845 -7.193 7.183 308 HA GLN 38 HA GLN 38 1.745 -6.528 8.441 309 HB2 GLN 38 2HB GLN 38 -0.149 -8.834 8.961 310 HB3 GLN 38 1HB GLN 38 1.425 -8.657 9.719 311 HG2 GLN 38 2HG GLN 38 -0.810 -6.656 9.989 312 HG3 GLN 38 1HG GLN 38 -0.506 -7.962 11.132 313 HE21 GLN 38 1HE2 GLN 38 2.427 -7.669 10.838 314 HE22 GLN 38 2HE2 GLN 38 2.827 -6.260 11.739 315 H ILE 39 H ILE 39 3.553 -7.253 7.471 316 HA ILE 39 HA ILE 39 3.388 -9.635 5.714 317 HB ILE 39 HB ILE 39 5.162 -7.210 5.321 318 HG12 ILE 39 2HG1 ILE 39 2.782 -8.177 3.705 319 HG13 ILE 39 1HG1 ILE 39 2.791 -6.773 4.766 320 HG21 ILE 39 1HG2 ILE 39 4.852 -9.695 3.625 321 HG22 ILE 39 2HG2 ILE 39 6.258 -9.271 4.601 322 HG23 ILE 39 3HG2 ILE 39 5.822 -8.281 3.209 323 HD11 ILE 39 3HD1 ILE 39 4.461 -5.710 3.321 324 HD12 ILE 39 1HD1 ILE 39 2.982 -6.112 2.447 325 HD13 ILE 39 2HD1 ILE 39 4.418 -7.115 2.253 326 H SER 40 H SER 40 4.519 -11.290 6.532 327 HA SER 40 HA SER 40 6.758 -10.785 8.367 328 HB2 SER 40 2HB SER 40 5.096 -12.360 9.174 329 HB3 SER 40 1HB SER 40 5.259 -13.338 7.714 330 HG SER 40 HG SER 40 6.732 -14.367 8.802 331 H ALA 41 H ALA 41 8.600 -10.402 7.237 332 HA ALA 41 HA ALA 41 9.549 -12.547 5.443 333 HB1 ALA 41 3HB ALA 41 10.547 -10.941 3.942 334 HB2 ALA 41 1HB ALA 41 9.993 -9.608 4.954 335 HB3 ALA 41 2HB ALA 41 8.822 -10.608 4.098 336 H ILE 42 H ILE 42 11.790 -12.967 5.479 337 HA ILE 42 HA ILE 42 13.459 -11.375 7.314 338 HB ILE 42 HB ILE 42 13.384 -14.407 7.305 339 HG12 ILE 42 2HG1 ILE 42 12.570 -12.426 9.456 340 HG13 ILE 42 1HG1 ILE 42 11.477 -13.438 8.518 341 HG21 ILE 42 1HG2 ILE 42 15.050 -14.280 9.095 342 HG22 ILE 42 2HG2 ILE 42 15.090 -12.523 8.944 343 HG23 ILE 42 3HG2 ILE 42 15.652 -13.537 7.614 344 HD11 ILE 42 3HD1 ILE 42 13.563 -14.433 10.448 345 HD12 ILE 42 1HD1 ILE 42 12.444 -15.434 9.523 346 HD13 ILE 42 2HD1 ILE 42 11.830 -14.328 10.753 347 HA PRO 43 HA PRO 43 14.841 -10.065 7.046 348 HB2 PRO 43 2HB PRO 43 16.056 -8.237 5.477 349 HB3 PRO 43 1HB PRO 43 16.977 -9.435 6.395 350 HG2 PRO 43 2HG PRO 43 16.180 -9.475 3.500 351 HG3 PRO 43 1HG PRO 43 17.759 -9.836 4.224 352 HD2 PRO 43 2HD PRO 43 16.003 -11.780 3.492 353 HD3 PRO 43 1HD PRO 43 17.123 -11.965 4.858 354 HA PRO 44 HA PRO 44 11.303 -7.714 5.581 355 HB2 PRO 44 2HB PRO 44 13.085 -5.299 5.548 356 HB3 PRO 44 1HB PRO 44 11.460 -5.487 6.222 357 HG2 PRO 44 2HG PRO 44 13.569 -5.511 7.831 358 HG3 PRO 44 1HG PRO 44 12.231 -6.648 8.097 359 HD2 PRO 44 2HD PRO 44 14.939 -7.144 6.938 360 HD3 PRO 44 1HD PRO 44 13.935 -8.201 7.950 361 HA PRO 45 HA PRO 45 12.133 -7.508 1.215 362 HB2 PRO 45 2HB PRO 45 9.623 -7.582 0.343 363 HB3 PRO 45 1HB PRO 45 10.278 -8.924 1.290 364 HG2 PRO 45 2HG PRO 45 8.415 -6.747 2.125 365 HG3 PRO 45 1HG PRO 45 8.457 -8.443 2.633 366 HD2 PRO 45 2HD PRO 45 9.563 -6.228 4.017 367 HD3 PRO 45 1HD PRO 45 9.811 -7.944 4.391 368 H LYS 46 H LYS 46 11.747 -6.224 -0.717 369 HA LYS 46 HA LYS 46 11.483 -3.387 -0.225 370 HB2 LYS 46 2HB LYS 46 13.104 -4.437 -1.865 371 HB3 LYS 46 1HB LYS 46 11.725 -4.812 -2.888 372 HG2 LYS 46 2HG LYS 46 12.778 -2.817 -3.698 373 HG3 LYS 46 1HG LYS 46 11.209 -2.390 -3.010 374 HD2 LYS 46 2HD LYS 46 12.263 -1.577 -0.990 375 HD3 LYS 46 1HD LYS 46 13.842 -2.142 -1.541 376 HE2 LYS 46 2HE LYS 46 13.716 -0.566 -3.434 377 HE3 LYS 46 1HE LYS 46 12.169 0.019 -2.823 378 HZ1 LYS 46 3HZ LYS 46 14.061 1.427 -2.181 379 HZ2 LYS 46 1HZ LYS 46 14.719 0.136 -1.310 380 HZ3 LYS 46 2HZ LYS 46 13.240 0.802 -0.843 381 H LEU 47 H LEU 47 9.681 -2.140 -0.592 382 HA LEU 47 HA LEU 47 7.234 -3.582 -1.367 383 HB2 LEU 47 2HB LEU 47 7.474 -0.936 0.066 384 HB3 LEU 47 1HB LEU 47 6.015 -1.889 -0.143 385 HG LEU 47 HG LEU 47 8.417 -2.668 1.527 386 HD11 LEU 47 1HD1 LEU 47 5.643 -1.797 2.334 387 HD12 LEU 47 2HD1 LEU 47 7.127 -0.862 2.521 388 HD13 LEU 47 3HD1 LEU 47 6.911 -2.359 3.427 389 HD21 LEU 47 3HD2 LEU 47 7.029 -4.538 2.296 390 HD22 LEU 47 1HD2 LEU 47 7.353 -4.637 0.564 391 HD23 LEU 47 2HD2 LEU 47 5.777 -4.086 1.135 392 H PHE 48 H PHE 48 6.162 -3.099 -3.180 393 HA PHE 48 HA PHE 48 6.615 -0.480 -4.482 394 HB2 PHE 48 2HB PHE 48 6.257 -3.169 -5.836 395 HB3 PHE 48 1HB PHE 48 6.322 -1.622 -6.673 396 HD1 PHE 48 HD1 PHE 48 8.453 -0.253 -6.512 397 HD2 PHE 48 HD2 PHE 48 8.228 -4.334 -5.294 398 HE1 PHE 48 HE1 PHE 48 10.900 -0.434 -6.670 399 HE2 PHE 48 HE2 PHE 48 10.677 -4.512 -5.447 400 HZ PHE 48 HZ PHE 48 12.016 -2.565 -6.136 401 H TRP 49 H TRP 49 4.784 0.697 -4.543 402 HA TRP 49 HA TRP 49 2.183 -0.700 -4.727 403 HB2 TRP 49 2HB TRP 49 2.871 2.024 -3.602 404 HB3 TRP 49 1HB TRP 49 1.222 1.481 -3.875 405 HD1 TRP 49 HD1 TRP 49 4.318 0.482 -1.765 406 HE1 TRP 49 HE1 TRP 49 3.474 -0.607 0.408 407 HE3 TRP 49 HE3 TRP 49 -0.691 0.428 -2.776 408 HZ2 TRP 49 HZ2 TRP 49 1.015 -1.381 1.548 409 HZ3 TRP 49 HZ3 TRP 49 -2.226 -0.506 -1.091 410 HH2 TRP 49 HH2 TRP 49 -1.389 -1.393 1.027 411 H LYS 50 H LYS 50 0.954 -0.418 -6.511 412 HA LYS 50 HA LYS 50 1.575 1.853 -8.294 413 HB2 LYS 50 2HB LYS 50 2.577 -0.256 -9.144 414 HB3 LYS 50 1HB LYS 50 0.970 -0.971 -9.203 415 HG2 LYS 50 2HG LYS 50 0.270 0.632 -10.867 416 HG3 LYS 50 1HG LYS 50 1.809 1.482 -10.740 417 HD2 LYS 50 2HD LYS 50 1.786 0.076 -12.720 418 HD3 LYS 50 1HD LYS 50 2.975 -0.520 -11.563 419 HE2 LYS 50 2HE LYS 50 1.485 -2.287 -10.865 420 HE3 LYS 50 1HE LYS 50 0.180 -1.628 -11.852 421 HZ1 LYS 50 3HZ LYS 50 2.748 -2.668 -12.916 422 HZ2 LYS 50 1HZ LYS 50 1.430 -2.123 -13.825 423 HZ3 LYS 50 2HZ LYS 50 1.290 -3.527 -12.895 424 H ARG 51 H ARG 51 -0.157 3.011 -8.975 425 HA ARG 51 HA ARG 51 -2.841 2.046 -8.189 426 HB2 ARG 51 2HB ARG 51 -2.217 4.061 -7.025 427 HB3 ARG 51 1HB ARG 51 -1.726 4.842 -8.522 428 HG2 ARG 51 2HG ARG 51 -4.105 4.736 -9.280 429 HG3 ARG 51 1HG ARG 51 -4.533 4.123 -7.681 430 HD2 ARG 51 2HD ARG 51 -4.914 6.541 -7.869 431 HD3 ARG 51 1HD ARG 51 -3.701 6.159 -6.650 432 HE ARG 51 HE ARG 51 -2.035 7.044 -8.060 433 HH11 ARG 51 1HH1 ARG 51 -5.189 7.364 -9.408 434 HH12 ARG 51 2HH1 ARG 51 -4.704 8.562 -10.548 435 HH21 ARG 51 1HH2 ARG 51 -1.423 8.601 -9.518 436 HH22 ARG 51 2HH2 ARG 51 -2.591 9.260 -10.608 437 H ASN 52 H ASN 52 -4.126 1.406 -9.832 438 HA ASN 52 HA ASN 52 -5.114 1.224 -11.886 439 HB2 ASN 52 2HB ASN 52 -5.669 3.630 -11.240 440 HB3 ASN 52 1HB ASN 52 -4.351 4.127 -12.292 441 HD21 ASN 52 1HD2 ASN 52 -7.544 2.777 -12.150 442 HD22 ASN 52 2HD2 ASN 52 -7.903 2.935 -13.826 443 H ASN 53 H ASN 53 -2.304 0.628 -11.626 444 HA ASN 53 HA ASN 53 -0.621 -0.172 -12.898 445 HB2 ASN 53 2HB ASN 53 -2.417 -0.580 -14.637 446 HB3 ASN 53 1HB ASN 53 -1.943 0.951 -15.368 447 HD21 ASN 53 1HD2 ASN 53 -1.201 0.039 -17.251 448 HD22 ASN 53 2HD2 ASN 53 0.228 -0.925 -17.322 449 H GLU 54 H GLU 54 -1.182 2.927 -12.262 450 HA GLU 54 HA GLU 54 1.252 3.918 -13.590 451 HB2 GLU 54 2HB GLU 54 -0.832 5.436 -11.993 452 HB3 GLU 54 1HB GLU 54 0.549 6.151 -12.815 453 HG2 GLU 54 2HG GLU 54 -0.366 5.315 -14.971 454 HG3 GLU 54 1HG GLU 54 -1.793 4.753 -14.100 455 H MET 55 H MET 55 3.108 4.199 -12.477 456 HA MET 55 HA MET 55 3.533 3.066 -9.960 457 HB2 MET 55 2HB MET 55 5.293 3.461 -11.680 458 HB3 MET 55 1HB MET 55 5.227 5.180 -11.322 459 HG2 MET 55 2HG MET 55 7.035 4.572 -10.077 460 HG3 MET 55 1HG MET 55 5.765 4.360 -8.878 461 HE1 MET 55 3HE MET 55 5.446 0.516 -8.540 462 HE2 MET 55 1HE MET 55 4.393 1.562 -9.489 463 HE3 MET 55 2HE MET 55 4.980 2.098 -7.916 464 H VAL 56 H VAL 56 3.187 3.764 -7.925 465 HA VAL 56 HA VAL 56 2.199 6.453 -7.459 466 HB VAL 56 HB VAL 56 2.671 4.191 -5.494 467 HG11 VAL 56 1HG1 VAL 56 1.111 6.763 -5.176 468 HG12 VAL 56 2HG1 VAL 56 2.636 6.362 -4.385 469 HG13 VAL 56 3HG1 VAL 56 1.177 5.450 -4.000 470 HG21 VAL 56 3HG2 VAL 56 0.254 3.817 -5.626 471 HG22 VAL 56 1HG2 VAL 56 1.022 3.593 -7.198 472 HG23 VAL 56 2HG2 VAL 56 0.120 5.070 -6.860 473 H GLN 57 H GLN 57 3.479 8.124 -6.952 474 HA GLN 57 HA GLN 57 6.202 7.639 -6.002 475 HB2 GLN 57 2HB GLN 57 6.610 10.021 -6.496 476 HB3 GLN 57 1HB GLN 57 6.019 9.143 -7.894 477 HG2 GLN 57 2HG GLN 57 4.172 10.758 -6.163 478 HG3 GLN 57 1HG GLN 57 5.104 11.494 -7.462 479 HE21 GLN 57 1HE2 GLN 57 4.645 10.906 -9.607 480 HE22 GLN 57 2HE2 GLN 57 3.135 10.191 -10.042 481 H PHE 58 H PHE 58 6.807 7.926 -3.948 482 HA PHE 58 HA PHE 58 4.816 8.915 -2.039 483 HB2 PHE 58 2HB PHE 58 7.435 7.504 -1.468 484 HB3 PHE 58 1HB PHE 58 6.104 7.763 -0.342 485 HD1 PHE 58 HD1 PHE 58 3.840 6.670 -0.941 486 HD2 PHE 58 HD2 PHE 58 7.542 5.537 -2.723 487 HE1 PHE 58 HE1 PHE 58 2.862 4.516 -1.611 488 HE2 PHE 58 HE2 PHE 58 6.564 3.379 -3.384 489 HZ PHE 58 HZ PHE 58 4.223 2.869 -2.825 490 H ASN 59 H ASN 59 7.122 10.397 -3.745 491 HA ASN 59 HA ASN 59 8.538 11.795 -1.631 492 HB2 ASN 59 2HB ASN 59 9.653 12.976 -3.505 493 HB3 ASN 59 1HB ASN 59 9.730 11.225 -3.678 494 HD21 ASN 59 1HD2 ASN 59 8.404 14.165 -4.937 495 HD22 ASN 59 2HD2 ASN 59 7.769 13.487 -6.395 496 H THR 60 H THR 60 5.725 12.183 -1.500 497 HA THR 60 HA THR 60 5.564 15.092 -1.849 498 HB THR 60 HB THR 60 4.412 14.481 -3.808 499 HG1 THR 60 HG1 THR 60 2.556 15.469 -3.383 500 HG21 THR 60 3HG2 THR 60 2.985 12.345 -2.215 501 HG22 THR 60 1HG2 THR 60 4.234 12.082 -3.431 502 HG23 THR 60 2HG2 THR 60 2.667 12.741 -3.901 503 H ASP 61 H ASP 61 3.835 16.092 -0.582 504 HA ASP 61 HA ASP 61 3.561 14.933 2.009 505 HB2 ASP 61 2HB ASP 61 3.680 17.358 1.704 506 HB3 ASP 61 1HB ASP 61 2.179 17.333 0.781 507 H ARG 62 H ARG 62 1.564 14.948 -0.861 508 HA ARG 62 HA ARG 62 -0.871 14.169 0.414 509 HB2 ARG 62 2HB ARG 62 0.050 14.025 -2.455 510 HB3 ARG 62 1HB ARG 62 -1.538 13.471 -1.944 511 HG2 ARG 62 2HG ARG 62 -2.063 15.723 -1.133 512 HG3 ARG 62 1HG ARG 62 -0.471 16.280 -1.654 513 HD2 ARG 62 2HD ARG 62 -0.995 15.947 -3.944 514 HD3 ARG 62 1HD ARG 62 -2.430 15.001 -3.556 515 HE ARG 62 HE ARG 62 -3.435 17.089 -2.734 516 HH11 ARG 62 1HH1 ARG 62 -0.744 17.339 -4.886 517 HH12 ARG 62 2HH1 ARG 62 -1.250 18.882 -5.485 518 HH21 ARG 62 1HH2 ARG 62 -4.056 19.040 -3.513 519 HH22 ARG 62 2HH2 ARG 62 -3.087 19.840 -4.711 520 H ILE 63 H ILE 63 1.880 12.361 -0.822 521 HA ILE 63 HA ILE 63 0.499 9.854 -0.064 522 HB ILE 63 HB ILE 63 2.511 10.146 -2.315 523 HG12 ILE 63 2HG1 ILE 63 0.344 11.192 -2.893 524 HG13 ILE 63 1HG1 ILE 63 0.649 9.751 -3.855 525 HG21 ILE 63 1HG2 ILE 63 1.871 7.825 -2.856 526 HG22 ILE 63 2HG2 ILE 63 0.868 7.779 -1.406 527 HG23 ILE 63 3HG2 ILE 63 2.617 7.967 -1.265 528 HD11 ILE 63 3HD1 ILE 63 -1.165 9.920 -1.460 529 HD12 ILE 63 1HD1 ILE 63 -0.872 8.481 -2.438 530 HD13 ILE 63 2HD1 ILE 63 -1.666 9.885 -3.150 531 H SER 64 H SER 64 1.488 8.778 1.527 532 HA SER 64 HA SER 64 4.415 8.776 1.682 533 HB2 SER 64 2HB SER 64 4.436 9.279 4.079 534 HB3 SER 64 1HB SER 64 3.708 10.606 3.177 535 HG SER 64 HG SER 64 1.761 8.929 3.858 536 H LEU 65 H LEU 65 5.182 6.812 2.052 537 HA LEU 65 HA LEU 65 3.391 4.747 3.192 538 HB2 LEU 65 2HB LEU 65 3.950 4.331 0.856 539 HB3 LEU 65 1HB LEU 65 5.660 4.489 1.210 540 HG LEU 65 HG LEU 65 5.421 2.464 2.722 541 HD11 LEU 65 1HD1 LEU 65 3.020 2.512 3.041 542 HD12 LEU 65 2HD1 LEU 65 3.510 0.986 2.311 543 HD13 LEU 65 3HD1 LEU 65 2.759 2.237 1.317 544 HD21 LEU 65 3HD2 LEU 65 5.522 0.871 0.871 545 HD22 LEU 65 1HD2 LEU 65 6.452 2.326 0.522 546 HD23 LEU 65 2HD2 LEU 65 4.870 2.094 -0.224 547 H TYR 66 H TYR 66 4.073 3.671 5.001 548 HA TYR 66 HA TYR 66 6.939 3.604 5.584 549 HB2 TYR 66 2HB TYR 66 6.665 4.283 7.906 550 HB3 TYR 66 1HB TYR 66 6.095 5.545 6.828 551 HD1 TYR 66 HD2 TYR 66 3.651 5.981 6.605 552 HD2 TYR 66 HD1 TYR 66 5.185 3.228 9.476 553 HE1 TYR 66 HE2 TYR 66 1.532 6.099 7.842 554 HE2 TYR 66 HE1 TYR 66 3.067 3.345 10.721 555 HH TYR 66 HH TYR 66 1.197 4.868 11.005 556 H GLN 67 H GLN 67 7.656 1.798 6.578 557 HA GLN 67 HA GLN 67 5.645 -0.224 7.343 558 HB2 GLN 67 2HB GLN 67 7.193 -1.957 6.596 559 HB3 GLN 67 1HB GLN 67 6.850 -0.841 5.283 560 HG2 GLN 67 2HG GLN 67 9.024 0.310 5.840 561 HG3 GLN 67 1HG GLN 67 9.363 -1.032 6.931 562 HE21 GLN 67 1HE2 GLN 67 9.620 -3.135 6.014 563 HE22 GLN 67 2HE2 GLN 67 10.110 -3.319 4.372 564 H ASP 68 H ASP 68 5.724 -0.872 9.412 565 HA ASP 68 HA ASP 68 7.752 0.317 11.121 566 HB2 ASP 68 2HB ASP 68 5.305 0.466 11.639 567 HB3 ASP 68 1HB ASP 68 5.299 -1.272 11.923 568 H ASN 69 H ASN 69 8.748 -0.892 12.873 569 HA ASN 69 HA ASN 69 10.226 -3.096 12.007 570 HB2 ASN 69 2HB ASN 69 9.699 -2.345 14.892 571 HB3 ASN 69 1HB ASN 69 11.113 -3.176 14.244 572 HD21 ASN 69 1HD2 ASN 69 12.687 -1.983 13.180 573 HD22 ASN 69 2HD2 ASN 69 12.730 -0.258 13.234 574 H THR 70 H THR 70 7.136 -2.957 13.628 575 HA THR 70 HA THR 70 7.115 -5.690 14.523 576 HB THR 70 HB THR 70 5.765 -3.871 15.599 577 HG1 THR 70 HG1 THR 70 4.530 -6.267 14.694 578 HG21 THR 70 3HG2 THR 70 3.972 -4.206 13.183 579 HG22 THR 70 1HG2 THR 70 4.941 -2.777 13.549 580 HG23 THR 70 2HG2 THR 70 3.617 -3.241 14.616 581 H GLY 71 H GLY 71 7.055 -4.558 11.466 582 HA2 GLY 71 2HA GLY 71 6.796 -5.855 9.542 583 HA3 GLY 71 1HA GLY 71 5.879 -7.027 10.472 584 H ARG 72 H ARG 72 4.888 -3.723 10.731 585 HA ARG 72 HA ARG 72 2.517 -4.347 9.097 586 HB2 ARG 72 2HB ARG 72 2.052 -3.749 11.429 587 HB3 ARG 72 1HB ARG 72 2.879 -2.212 11.213 588 HG2 ARG 72 2HG ARG 72 1.213 -1.550 9.542 589 HG3 ARG 72 1HG ARG 72 0.387 -3.091 9.752 590 HD2 ARG 72 2HD ARG 72 0.778 -1.002 11.899 591 HD3 ARG 72 1HD ARG 72 -0.707 -1.265 10.982 592 HE ARG 72 HE ARG 72 0.381 -3.491 12.538 593 HH11 ARG 72 1HH1 ARG 72 -2.068 -1.098 12.098 594 HH12 ARG 72 2HH1 ARG 72 -3.098 -1.791 13.301 595 HH21 ARG 72 1HH2 ARG 72 -0.958 -4.358 14.070 596 HH22 ARG 72 2HH2 ARG 72 -2.490 -3.622 14.385 597 H VAL 73 H VAL 73 2.406 -3.484 7.139 598 HA VAL 73 HA VAL 73 3.906 -1.050 6.478 599 HB VAL 73 HB VAL 73 2.301 -2.861 4.649 600 HG11 VAL 73 1HG1 VAL 73 4.359 -0.741 3.994 601 HG12 VAL 73 2HG1 VAL 73 2.615 -0.586 3.778 602 HG13 VAL 73 3HG1 VAL 73 3.515 -1.769 2.832 603 HG21 VAL 73 3HG2 VAL 73 4.470 -3.791 3.949 604 HG22 VAL 73 1HG2 VAL 73 4.142 -4.101 5.655 605 HG23 VAL 73 2HG2 VAL 73 5.278 -2.834 5.191 606 H THR 74 H THR 74 2.910 0.900 6.017 607 HA THR 74 HA THR 74 -0.033 0.962 5.831 608 HB THR 74 HB THR 74 1.579 2.791 7.642 609 HG1 THR 74 HG1 THR 74 0.398 0.389 8.062 610 HG21 THR 74 3HG2 THR 74 -0.325 3.947 6.584 611 HG22 THR 74 1HG2 THR 74 -0.598 3.708 8.312 612 HG23 THR 74 2HG2 THR 74 -1.407 2.669 7.138 613 H LEU 75 H LEU 75 -0.690 2.091 4.133 614 HA LEU 75 HA LEU 75 1.030 4.216 3.029 615 HB2 LEU 75 2HB LEU 75 0.446 2.418 1.467 616 HB3 LEU 75 1HB LEU 75 -1.260 2.689 1.770 617 HG LEU 75 HG LEU 75 -1.046 4.961 0.776 618 HD11 LEU 75 1HD1 LEU 75 1.309 5.355 1.203 619 HD12 LEU 75 2HD1 LEU 75 0.958 5.515 -0.516 620 HD13 LEU 75 3HD1 LEU 75 1.752 4.058 0.090 621 HD21 LEU 75 3HD2 LEU 75 -1.843 3.120 -0.593 622 HD22 LEU 75 1HD2 LEU 75 -0.185 2.667 -0.998 623 HD23 LEU 75 2HD2 LEU 75 -0.844 4.204 -1.560 624 H LEU 76 H LEU 76 0.429 6.281 3.292 625 HA LEU 76 HA LEU 76 -2.351 6.875 4.095 626 HB2 LEU 76 2HB LEU 76 0.165 8.486 4.577 627 HB3 LEU 76 1HB LEU 76 -1.445 8.940 5.099 628 HG LEU 76 HG LEU 76 0.106 6.532 6.077 629 HD11 LEU 76 1HD1 LEU 76 0.222 7.749 8.199 630 HD12 LEU 76 2HD1 LEU 76 -0.573 9.135 7.449 631 HD13 LEU 76 3HD1 LEU 76 1.026 8.633 6.902 632 HD21 LEU 76 3HD2 LEU 76 -1.710 6.272 7.702 633 HD22 LEU 76 1HD2 LEU 76 -2.303 6.103 6.050 634 HD23 LEU 76 2HD2 LEU 76 -2.589 7.598 6.942 635 H ILE 77 H ILE 77 -3.588 7.964 2.700 636 HA ILE 77 HA ILE 77 -2.288 9.512 0.530 637 HB ILE 77 HB ILE 77 -4.888 7.962 0.426 638 HG12 ILE 77 2HG1 ILE 77 -2.262 7.455 -1.008 639 HG13 ILE 77 1HG1 ILE 77 -2.812 6.568 0.411 640 HG21 ILE 77 1HG2 ILE 77 -4.985 9.999 -0.935 641 HG22 ILE 77 2HG2 ILE 77 -4.959 8.556 -1.945 642 HG23 ILE 77 3HG2 ILE 77 -3.498 9.526 -1.758 643 HD11 ILE 77 3HD1 ILE 77 -3.207 5.309 -1.615 644 HD12 ILE 77 1HD1 ILE 77 -4.170 6.631 -2.273 645 HD13 ILE 77 2HD1 ILE 77 -4.733 5.751 -0.851 646 H LYS 78 H LYS 78 -2.727 11.632 0.532 647 HA LYS 78 HA LYS 78 -5.050 12.638 2.067 648 HB2 LYS 78 2HB LYS 78 -2.531 14.162 1.371 649 HB3 LYS 78 1HB LYS 78 -3.785 14.640 2.504 650 HG2 LYS 78 2HG LYS 78 -3.125 12.885 4.036 651 HG3 LYS 78 1HG LYS 78 -1.934 12.289 2.873 652 HD2 LYS 78 2HD LYS 78 -0.880 14.593 2.960 653 HD3 LYS 78 1HD LYS 78 -1.936 14.934 4.328 654 HE2 LYS 78 2HE LYS 78 -0.935 13.123 5.593 655 HE3 LYS 78 1HE LYS 78 0.060 12.674 4.207 656 HZ1 LYS 78 3HZ LYS 78 1.140 14.843 4.335 657 HZ2 LYS 78 1HZ LYS 78 1.315 13.993 5.788 658 HZ3 LYS 78 2HZ LYS 78 0.195 15.250 5.675 659 H ASP 79 H ASP 79 -6.238 14.425 1.217 660 HA ASP 79 HA ASP 79 -7.103 15.895 -0.299 661 HB2 ASP 79 2HB ASP 79 -4.668 16.684 0.088 662 HB3 ASP 79 1HB ASP 79 -4.341 16.036 -1.515 663 H VAL 80 H VAL 80 -7.238 13.105 -1.005 664 HA VAL 80 HA VAL 80 -6.579 12.818 -3.811 665 HB VAL 80 HB VAL 80 -6.388 10.978 -2.094 666 HG11 VAL 80 1HG1 VAL 80 -9.384 10.834 -2.389 667 HG12 VAL 80 2HG1 VAL 80 -8.519 11.367 -0.945 668 HG13 VAL 80 3HG1 VAL 80 -8.361 9.702 -1.504 669 HG21 VAL 80 3HG2 VAL 80 -8.072 10.373 -4.528 670 HG22 VAL 80 1HG2 VAL 80 -7.141 9.197 -3.596 671 HG23 VAL 80 2HG2 VAL 80 -6.312 10.480 -4.475 672 H ASN 81 H ASN 81 -7.967 12.895 -5.548 673 HA ASN 81 HA ASN 81 -10.853 13.222 -4.987 674 HB2 ASN 81 2HB ASN 81 -10.955 14.664 -7.056 675 HB3 ASN 81 1HB ASN 81 -10.101 15.370 -5.689 676 HD21 ASN 81 1HD2 ASN 81 -9.825 14.142 -8.902 677 HD22 ASN 81 2HD2 ASN 81 -8.193 14.629 -9.169 678 H LYS 82 H LYS 82 -12.054 12.974 -7.355 679 HA LYS 82 HA LYS 82 -12.257 10.265 -7.776 680 HB2 LYS 82 2HB LYS 82 -12.839 12.527 -9.690 681 HB3 LYS 82 1HB LYS 82 -13.254 10.858 -10.044 682 HG2 LYS 82 2HG LYS 82 -14.273 12.413 -7.670 683 HG3 LYS 82 1HG LYS 82 -15.145 12.192 -9.187 684 HD2 LYS 82 2HD LYS 82 -14.796 9.655 -8.738 685 HD3 LYS 82 1HD LYS 82 -14.465 10.160 -7.079 686 HE2 LYS 82 2HE LYS 82 -16.791 9.561 -7.271 687 HE3 LYS 82 1HE LYS 82 -16.665 11.304 -7.037 688 HZ1 LYS 82 3HZ LYS 82 -18.272 10.827 -8.738 689 HZ2 LYS 82 1HZ LYS 82 -17.154 9.907 -9.614 690 HZ3 LYS 82 2HZ LYS 82 -16.935 11.573 -9.451 691 H LYS 83 H LYS 83 -10.301 12.508 -9.725 692 HA LYS 83 HA LYS 83 -9.414 10.706 -11.663 693 HB2 LYS 83 2HB LYS 83 -8.005 13.149 -10.562 694 HB3 LYS 83 1HB LYS 83 -7.575 12.325 -12.057 695 HG2 LYS 83 2HG LYS 83 -10.177 13.740 -11.476 696 HG3 LYS 83 1HG LYS 83 -8.884 14.297 -12.544 697 HD2 LYS 83 2HD LYS 83 -9.229 12.324 -13.971 698 HD3 LYS 83 1HD LYS 83 -10.536 11.791 -12.912 699 HE2 LYS 83 2HE LYS 83 -11.790 13.835 -13.444 700 HE3 LYS 83 1HE LYS 83 -10.481 14.358 -14.508 701 HZ1 LYS 83 3HZ LYS 83 -12.238 13.340 -15.780 702 HZ2 LYS 83 1HZ LYS 83 -12.154 11.926 -14.853 703 HZ3 LYS 83 2HZ LYS 83 -10.859 12.363 -15.851 704 H ASP 84 H ASP 84 -8.441 10.931 -8.361 705 HA ASP 84 HA ASP 84 -5.930 9.506 -8.867 706 HB2 ASP 84 2HB ASP 84 -6.971 10.722 -6.295 707 HB3 ASP 84 1HB ASP 84 -5.367 10.031 -6.554 708 H ALA 85 H ALA 85 -9.059 8.580 -8.355 709 HA ALA 85 HA ALA 85 -8.576 6.506 -6.378 710 HB1 ALA 85 3HB ALA 85 -10.885 5.829 -6.818 711 HB2 ALA 85 1HB ALA 85 -10.961 6.941 -8.186 712 HB3 ALA 85 2HB ALA 85 -10.777 7.568 -6.550 713 H GLY 86 H GLY 86 -8.397 4.279 -6.754 714 HA2 GLY 86 2HA GLY 86 -8.749 2.990 -9.225 715 HA3 GLY 86 1HA GLY 86 -7.070 3.489 -9.119 716 H TRP 87 H TRP 87 -7.097 0.980 -9.383 717 HA TRP 87 HA TRP 87 -7.133 -0.359 -6.792 718 HB2 TRP 87 2HB TRP 87 -6.671 -1.288 -9.619 719 HB3 TRP 87 1HB TRP 87 -6.190 -2.303 -8.263 720 HD1 TRP 87 HD1 TRP 87 -9.398 -0.614 -9.652 721 HE1 TRP 87 HE1 TRP 87 -11.408 -2.087 -8.999 722 HE3 TRP 87 HE3 TRP 87 -6.958 -4.111 -6.840 723 HZ2 TRP 87 HZ2 TRP 87 -11.891 -4.425 -7.487 724 HZ3 TRP 87 HZ3 TRP 87 -8.262 -5.931 -5.823 725 HH2 TRP 87 HH2 TRP 87 -10.675 -6.084 -6.139 726 H TYR 88 H TYR 88 -5.424 -0.452 -5.498 727 HA TYR 88 HA TYR 88 -2.758 0.274 -6.478 728 HB2 TYR 88 2HB TYR 88 -3.894 -0.001 -3.683 729 HB3 TYR 88 1HB TYR 88 -2.198 0.330 -4.014 730 HD1 TYR 88 HD1 TYR 88 -5.614 1.674 -4.693 731 HD2 TYR 88 HD2 TYR 88 -1.474 2.532 -4.197 732 HE1 TYR 88 HE1 TYR 88 -6.108 4.080 -4.773 733 HE2 TYR 88 HE2 TYR 88 -1.956 4.941 -4.271 734 HH TYR 88 HH TYR 88 -5.104 6.197 -4.030 735 H THR 89 H THR 89 -1.477 -1.358 -7.096 736 HA THR 89 HA THR 89 -1.812 -4.020 -5.901 737 HB THR 89 HB THR 89 -0.139 -3.178 -8.291 738 HG1 THR 89 HG1 THR 89 -1.834 -3.715 -9.496 739 HG21 THR 89 3HG2 THR 89 -0.811 -5.933 -7.226 740 HG22 THR 89 1HG2 THR 89 0.781 -5.175 -7.221 741 HG23 THR 89 2HG2 THR 89 0.014 -5.606 -8.751 742 H VAL 90 H VAL 90 -0.566 -4.528 -4.215 743 HA VAL 90 HA VAL 90 1.976 -3.114 -3.820 744 HB VAL 90 HB VAL 90 0.483 -2.945 -1.931 745 HG11 VAL 90 1HG1 VAL 90 0.489 -5.963 -1.807 746 HG12 VAL 90 2HG1 VAL 90 -0.862 -4.957 -2.329 747 HG13 VAL 90 3HG1 VAL 90 -0.292 -4.873 -0.661 748 HG21 VAL 90 3HG2 VAL 90 2.765 -4.838 -1.332 749 HG22 VAL 90 1HG2 VAL 90 1.929 -3.831 -0.149 750 HG23 VAL 90 2HG2 VAL 90 2.871 -3.080 -1.438 751 H SER 91 H SER 91 3.823 -4.081 -4.218 752 HA SER 91 HA SER 91 3.958 -7.036 -4.292 753 HB2 SER 91 2HB SER 91 5.612 -5.031 -5.864 754 HB3 SER 91 1HB SER 91 5.785 -6.786 -5.940 755 HG SER 91 HG SER 91 3.472 -5.290 -6.657 756 H ALA 92 H ALA 92 5.191 -7.935 -2.755 757 HA ALA 92 HA ALA 92 7.368 -6.332 -1.551 758 HB1 ALA 92 3HB ALA 92 5.576 -6.911 0.028 759 HB2 ALA 92 1HB ALA 92 7.102 -7.681 0.465 760 HB3 ALA 92 2HB ALA 92 5.831 -8.623 -0.314 761 H VAL 93 H VAL 93 9.338 -6.946 -2.236 762 HA VAL 93 HA VAL 93 9.756 -9.796 -2.921 763 HB VAL 93 HB VAL 93 9.795 -8.485 -4.944 764 HG11 VAL 93 1HG1 VAL 93 11.981 -6.821 -3.686 765 HG12 VAL 93 2HG1 VAL 93 10.320 -6.297 -3.969 766 HG13 VAL 93 3HG1 VAL 93 11.370 -6.671 -5.336 767 HG21 VAL 93 3HG2 VAL 93 11.380 -10.358 -4.775 768 HG22 VAL 93 1HG2 VAL 93 12.617 -9.258 -4.166 769 HG23 VAL 93 2HG2 VAL 93 12.003 -9.074 -5.810 770 H ASN 94 H ASN 94 11.035 -10.803 -1.560 771 HA ASN 94 HA ASN 94 13.361 -9.403 -0.393 772 HB2 ASN 94 2HB ASN 94 11.753 -10.267 1.279 773 HB3 ASN 94 1HB ASN 94 11.916 -11.884 0.602 774 HD21 ASN 94 1HD2 ASN 94 12.639 -12.715 2.573 775 HD22 ASN 94 2HD2 ASN 94 14.212 -12.369 3.189 776 H GLU 95 H GLU 95 15.341 -10.827 -0.135 777 HA GLU 95 HA GLU 95 16.084 -12.067 -2.546 778 HB2 GLU 95 2HB GLU 95 18.061 -12.898 -1.266 779 HB3 GLU 95 1HB GLU 95 17.769 -11.174 -1.081 780 HG2 GLU 95 2HG GLU 95 16.807 -11.515 1.103 781 HG3 GLU 95 1HG GLU 95 16.914 -13.265 0.917 782 H ALA 96 H ALA 96 14.834 -13.442 0.456 783 HA ALA 96 HA ALA 96 15.196 -16.171 -0.307 784 HB1 ALA 96 3HB ALA 96 13.461 -14.977 1.848 785 HB2 ALA 96 1HB ALA 96 15.131 -15.523 2.026 786 HB3 ALA 96 2HB ALA 96 13.852 -16.688 1.675 787 H GLY 97 H GLY 97 12.870 -13.876 -1.306 788 HA2 GLY 97 2HA GLY 97 11.514 -15.423 -3.096 789 HA3 GLY 97 1HA GLY 97 10.650 -15.717 -1.597 790 H VAL 98 H VAL 98 9.011 -14.749 -3.346 791 HA VAL 98 HA VAL 98 8.720 -11.884 -2.729 792 HB VAL 98 HB VAL 98 9.822 -11.961 -4.909 793 HG11 VAL 98 1HG1 VAL 98 7.463 -13.601 -5.846 794 HG12 VAL 98 2HG1 VAL 98 9.109 -14.193 -5.620 795 HG13 VAL 98 3HG1 VAL 98 8.768 -12.987 -6.861 796 HG21 VAL 98 3HG2 VAL 98 8.192 -10.657 -6.224 797 HG22 VAL 98 1HG2 VAL 98 8.229 -10.158 -4.532 798 HG23 VAL 98 2HG2 VAL 98 6.911 -11.168 -5.126 799 H THR 99 H THR 99 6.588 -11.092 -2.724 800 HA THR 99 HA THR 99 4.388 -12.897 -3.451 801 HB THR 99 HB THR 99 4.697 -13.316 -1.055 802 HG1 THR 99 HG1 THR 99 2.589 -13.454 -1.142 803 HG21 THR 99 3HG2 THR 99 5.740 -11.182 -0.431 804 HG22 THR 99 1HG2 THR 99 4.347 -11.540 0.589 805 HG23 THR 99 2HG2 THR 99 4.207 -10.352 -0.707 806 H THR 100 H THR 100 2.452 -11.840 -4.033 807 HA THR 100 HA THR 100 2.514 -8.884 -4.038 808 HB THR 100 HB THR 100 1.788 -10.574 -6.453 809 HG1 THR 100 HG1 THR 100 4.160 -9.785 -5.606 810 HG21 THR 100 3HG2 THR 100 0.448 -8.534 -6.343 811 HG22 THR 100 1HG2 THR 100 1.642 -8.410 -7.635 812 HG23 THR 100 2HG2 THR 100 1.904 -7.567 -6.106 813 H CYS 101 H CYS 101 0.538 -7.849 -3.854 814 HA CYS 101 HA CYS 101 -1.932 -9.424 -3.973 815 HB2 CYS 101 2HB CYS 101 -1.315 -9.549 -1.618 816 HB3 CYS 101 1HB CYS 101 -1.103 -7.803 -1.547 817 HG CYS 101 HG CYS 101 -4.076 -9.449 -2.005 818 H ASN 102 H ASN 102 -3.836 -8.156 -4.308 819 HA ASN 102 HA ASN 102 -3.259 -5.448 -5.333 820 HB2 ASN 102 2HB ASN 102 -5.551 -7.295 -6.048 821 HB3 ASN 102 1HB ASN 102 -5.218 -5.730 -6.781 822 HD21 ASN 102 1HD2 ASN 102 -3.367 -5.523 -8.122 823 HD22 ASN 102 2HD2 ASN 102 -2.630 -6.913 -8.838 824 H THR 103 H THR 103 -4.679 -3.729 -4.905 825 HA THR 103 HA THR 103 -6.628 -4.080 -2.720 826 HB THR 103 HB THR 103 -4.540 -1.878 -2.784 827 HG1 THR 103 HG1 THR 103 -3.464 -3.684 -2.136 828 HG21 THR 103 3HG2 THR 103 -6.623 -1.177 -1.714 829 HG22 THR 103 1HG2 THR 103 -5.352 -1.382 -0.507 830 HG23 THR 103 2HG2 THR 103 -6.598 -2.615 -0.691 831 H ARG 104 H ARG 104 -8.327 -2.535 -2.714 832 HA ARG 104 HA ARG 104 -8.488 -0.842 -5.137 833 HB2 ARG 104 2HB ARG 104 -10.137 -2.587 -5.255 834 HB3 ARG 104 1HB ARG 104 -10.663 -2.280 -3.606 835 HG2 ARG 104 2HG ARG 104 -11.524 -0.087 -4.287 836 HG3 ARG 104 1HG ARG 104 -11.001 -0.404 -5.942 837 HD2 ARG 104 2HD ARG 104 -12.562 -2.195 -6.175 838 HD3 ARG 104 1HD ARG 104 -12.942 -2.168 -4.450 839 HE ARG 104 HE ARG 104 -13.607 0.318 -5.269 840 HH11 ARG 104 1HH1 ARG 104 -14.491 -2.829 -6.375 841 HH12 ARG 104 2HH1 ARG 104 -16.029 -2.296 -6.962 842 HH21 ARG 104 1HH2 ARG 104 -15.551 0.975 -5.991 843 HH22 ARG 104 2HH2 ARG 104 -16.636 -0.158 -6.727 844 H LEU 105 H LEU 105 -9.018 1.303 -4.934 845 HA LEU 105 HA LEU 105 -9.975 2.282 -2.322 846 HB2 LEU 105 2HB LEU 105 -7.573 2.774 -2.468 847 HB3 LEU 105 1HB LEU 105 -7.826 3.585 -4.003 848 HG LEU 105 HG LEU 105 -9.243 5.272 -2.846 849 HD11 LEU 105 1HD1 LEU 105 -8.339 3.842 -0.342 850 HD12 LEU 105 2HD1 LEU 105 -9.990 3.944 -0.956 851 HD13 LEU 105 3HD1 LEU 105 -9.169 5.398 -0.388 852 HD21 LEU 105 3HD2 LEU 105 -6.451 4.975 -1.729 853 HD22 LEU 105 1HD2 LEU 105 -7.402 6.459 -1.765 854 HD23 LEU 105 2HD2 LEU 105 -6.875 5.715 -3.275 855 H ASP 106 H ASP 106 -11.770 3.477 -2.501 856 HA ASP 106 HA ASP 106 -12.498 4.537 -5.157 857 HB2 ASP 106 2HB ASP 106 -14.261 3.778 -2.818 858 HB3 ASP 106 1HB ASP 106 -14.841 4.488 -4.321 859 H VAL 107 H VAL 107 -13.058 6.646 -5.427 860 HA VAL 107 HA VAL 107 -13.214 8.359 -3.026 861 HB VAL 107 HB VAL 107 -12.203 9.199 -5.760 862 HG11 VAL 107 1HG1 VAL 107 -12.390 10.726 -3.156 863 HG12 VAL 107 2HG1 VAL 107 -13.336 11.018 -4.618 864 HG13 VAL 107 3HG1 VAL 107 -11.598 11.305 -4.622 865 HG21 VAL 107 3HG2 VAL 107 -10.675 8.774 -3.181 866 HG22 VAL 107 1HG2 VAL 107 -10.005 9.417 -4.681 867 HG23 VAL 107 2HG2 VAL 107 -10.589 7.753 -4.617 868 H THR 108 H THR 108 -14.812 9.935 -2.989 869 HA THR 108 HA THR 108 -16.926 9.711 -5.042 870 HB THR 108 HB THR 108 -17.317 9.923 -2.041 871 HG1 THR 108 HG1 THR 108 -17.270 7.823 -2.132 872 HG21 THR 108 3HG2 THR 108 -19.715 9.630 -2.531 873 HG22 THR 108 1HG2 THR 108 -19.363 9.701 -4.259 874 HG23 THR 108 2HG2 THR 108 -19.084 11.115 -3.242 875 H ALA 109 H ALA 109 -18.119 11.606 -5.474 876 HA ALA 109 HA ALA 109 -16.615 14.029 -5.139 877 HB1 ALA 109 3HB ALA 109 -19.323 13.588 -6.406 878 HB2 ALA 109 1HB ALA 109 -17.767 13.538 -7.237 879 HB3 ALA 109 2HB ALA 109 -18.345 15.051 -6.537 880 H ARG 110 H ARG 110 -16.937 15.674 -3.729 881 HA ARG 110 HA ARG 110 -18.703 15.315 -1.511 882 HB2 ARG 110 2HB ARG 110 -16.946 17.611 -2.380 883 HB3 ARG 110 1HB ARG 110 -17.957 17.693 -0.942 884 HG2 ARG 110 2HG ARG 110 -16.767 15.763 -0.008 885 HG3 ARG 110 1HG ARG 110 -15.737 15.710 -1.439 886 HD2 ARG 110 2HD ARG 110 -14.824 17.882 -0.934 887 HD3 ARG 110 1HD ARG 110 -15.972 18.110 0.384 888 HE ARG 110 HE ARG 110 -14.493 15.807 0.923 889 HH11 ARG 110 1HH1 ARG 110 -13.932 19.193 0.607 890 HH12 ARG 110 2HH1 ARG 110 -12.645 19.190 1.756 891 HH21 ARG 110 1HH2 ARG 110 -12.850 15.823 2.392 892 HH22 ARG 110 2HH2 ARG 110 -12.050 17.310 2.770 893 HA PRO 111 HA PRO 111 -22.372 17.386 -3.077 894 HB2 PRO 111 2HB PRO 111 -23.381 18.266 -0.670 895 HB3 PRO 111 1HB PRO 111 -23.576 16.621 -1.282 896 HG2 PRO 111 2HG PRO 111 -21.600 17.679 0.707 897 HG3 PRO 111 1HG PRO 111 -22.522 16.164 0.740 898 HD2 PRO 111 2HD PRO 111 -19.930 16.232 0.008 899 HD3 PRO 111 1HD PRO 111 -21.079 15.109 -0.747 900 H ASN 112 H ASN 112 -19.915 18.868 -1.151 901 HA ASN 112 HA ASN 112 -19.993 21.266 -2.697 902 HB2 ASN 112 2HB ASN 112 -21.781 21.748 -1.027 903 HB3 ASN 112 1HB ASN 112 -20.605 21.524 0.266 904 HD21 ASN 112 1HD2 ASN 112 -20.856 23.642 0.983 905 HD22 ASN 112 2HD2 ASN 112 -20.217 24.992 0.115 906 H GLN 113 H GLN 113 -18.106 22.604 -2.316 907 HA GLN 113 HA GLN 113 -16.105 21.556 -0.450 908 HB2 GLN 113 2HB GLN 113 -14.336 21.532 -2.166 909 HB3 GLN 113 1HB GLN 113 -15.608 20.374 -2.524 910 HG2 GLN 113 2HG GLN 113 -15.491 23.104 -3.790 911 HG3 GLN 113 1HG GLN 113 -14.696 21.693 -4.479 912 HE21 GLN 113 1HE2 GLN 113 -16.818 19.857 -3.674 913 HE22 GLN 113 2HE2 GLN 113 -18.143 20.167 -4.736 914 H THR 114 H THR 114 -14.285 23.033 -0.104 915 HA THR 114 HA THR 114 -14.550 25.765 -1.040 916 HB THR 114 HB THR 114 -16.197 25.794 0.757 917 HG1 THR 114 HG1 THR 114 -15.151 27.449 2.066 918 HG21 THR 114 3HG2 THR 114 -15.581 25.343 3.081 919 HG22 THR 114 1HG2 THR 114 -13.951 24.898 2.576 920 HG23 THR 114 2HG2 THR 114 -15.326 23.910 2.083 921 H LEU 115 H LEU 115 -12.929 27.219 0.115 922 HA LEU 115 HA LEU 115 -10.524 25.754 0.983 923 HB2 LEU 115 2HB LEU 115 -10.346 26.376 -1.431 924 HB3 LEU 115 1HB LEU 115 -10.532 28.059 -0.977 925 HG LEU 115 HG LEU 115 -8.424 27.915 0.335 926 HD11 LEU 115 1HD1 LEU 115 -8.418 25.544 0.839 927 HD12 LEU 115 2HD1 LEU 115 -6.938 25.987 -0.010 928 HD13 LEU 115 3HD1 LEU 115 -8.233 25.153 -0.871 929 HD21 LEU 115 3HD2 LEU 115 -8.392 28.762 -1.952 930 HD22 LEU 115 1HD2 LEU 115 -8.174 27.125 -2.573 931 HD23 LEU 115 2HD2 LEU 115 -6.913 27.873 -1.592 932 HA PRO 116 HA PRO 116 -11.091 28.504 4.480 933 HB2 PRO 116 2HB PRO 116 -8.185 27.914 4.849 934 HB3 PRO 116 1HB PRO 116 -9.515 27.803 6.010 935 HG2 PRO 116 2HG PRO 116 -8.516 25.599 4.914 936 HG3 PRO 116 1HG PRO 116 -10.266 25.769 5.153 937 HD2 PRO 116 2HD PRO 116 -8.658 26.026 2.639 938 HD3 PRO 116 1HD PRO 116 -10.267 25.315 2.885 Start of MODEL 13 1 H1 MET 1 1H MET 1 39.952 0.064 2.871 2 H2 MET 1 2H MET 1 39.446 -1.364 2.126 3 H3 MET 1 3H MET 1 40.882 -1.339 3.015 4 HA MET 1 HA MET 1 39.685 -0.936 5.047 5 HB2 MET 1 2HB MET 1 37.221 -1.154 3.293 6 HB3 MET 1 1HB MET 1 37.209 -1.057 5.048 7 HG2 MET 1 2HG MET 1 38.209 1.180 4.918 8 HG3 MET 1 1HG MET 1 38.191 1.079 3.159 9 HE1 MET 1 3HE MET 1 36.862 3.472 4.879 10 HE2 MET 1 1HE MET 1 35.365 3.702 3.977 11 HE3 MET 1 2HE MET 1 36.879 3.421 3.116 12 H GLY 2 H GLY 2 40.250 -2.826 5.973 13 HA2 GLY 2 2HA GLY 2 39.356 -5.370 4.796 14 HA3 GLY 2 1HA GLY 2 40.551 -5.179 6.072 15 H HIS 3 H HIS 3 39.886 -4.993 8.217 16 HA HIS 3 HA HIS 3 38.586 -5.023 10.066 17 HB2 HIS 3 2HB HIS 3 36.328 -4.299 8.191 18 HB3 HIS 3 1HB HIS 3 36.227 -4.278 9.949 19 HD1 HIS 3 HD1 HIS 3 36.011 -1.798 7.848 20 HD2 HIS 3 HD2 HIS 3 39.141 -2.700 10.433 21 HE1 HIS 3 HE1 HIS 3 37.240 0.360 8.195 22 HE2 HIS 3 HE2 HIS 3 39.030 -0.177 9.874 23 H HIS 4 H HIS 4 36.586 -6.537 7.503 24 HA HIS 4 HA HIS 4 35.076 -8.243 8.972 25 HB2 HIS 4 2HB HIS 4 34.930 -9.692 6.983 26 HB3 HIS 4 1HB HIS 4 34.820 -7.990 6.559 27 HD1 HIS 4 HD1 HIS 4 36.773 -6.980 5.169 28 HD2 HIS 4 HD2 HIS 4 37.200 -11.034 6.008 29 HE1 HIS 4 HE1 HIS 4 38.618 -7.789 3.676 30 HE2 HIS 4 HE2 HIS 4 38.727 -10.268 4.063 31 H HIS 5 H HIS 5 35.439 -9.827 10.383 32 HA HIS 5 HA HIS 5 37.191 -12.002 9.932 33 HB2 HIS 5 2HB HIS 5 38.772 -11.597 11.837 34 HB3 HIS 5 1HB HIS 5 38.991 -10.503 10.477 35 HD1 HIS 5 HD1 HIS 5 36.137 -9.497 12.528 36 HD2 HIS 5 HD2 HIS 5 40.245 -8.873 12.548 37 HE1 HIS 5 HE1 HIS 5 36.512 -7.533 14.036 38 HE2 HIS 5 HE2 HIS 5 38.968 -7.055 13.862 39 H HIS 6 H HIS 6 36.851 -13.704 11.392 40 HA HIS 6 HA HIS 6 35.869 -14.935 13.029 41 HB2 HIS 6 2HB HIS 6 37.088 -13.437 14.523 42 HB3 HIS 6 1HB HIS 6 35.786 -12.257 14.450 43 HD1 HIS 6 HD1 HIS 6 35.995 -15.953 15.417 44 HD2 HIS 6 HD2 HIS 6 34.338 -12.371 16.720 45 HE1 HIS 6 HE1 HIS 6 34.753 -16.513 17.521 46 HE2 HIS 6 HE2 HIS 6 33.924 -14.303 18.387 47 H HIS 7 H HIS 7 34.158 -13.417 10.970 48 HA HIS 7 HA HIS 7 31.629 -13.066 12.341 49 HB2 HIS 7 2HB HIS 7 32.173 -11.585 10.472 50 HB3 HIS 7 1HB HIS 7 32.285 -12.967 9.383 51 HD1 HIS 7 HD1 HIS 7 29.635 -11.508 11.713 52 HD2 HIS 7 HD2 HIS 7 29.977 -13.318 7.989 53 HE1 HIS 7 HE1 HIS 7 27.308 -11.578 10.787 54 HE2 HIS 7 HE2 HIS 7 27.523 -12.708 8.552 55 H HIS 8 H HIS 8 30.656 -14.863 13.042 56 HA HIS 8 HA HIS 8 30.041 -16.961 11.068 57 HB2 HIS 8 2HB HIS 8 31.076 -17.351 13.876 58 HB3 HIS 8 1HB HIS 8 30.175 -18.607 13.037 59 HD1 HIS 8 HD1 HIS 8 31.739 -17.595 10.251 60 HD2 HIS 8 HD2 HIS 8 33.301 -19.165 13.769 61 HE1 HIS 8 HE1 HIS 8 33.955 -18.575 9.621 62 HE2 HIS 8 HE2 HIS 8 34.798 -19.669 11.719 63 H SER 9 H SER 9 28.572 -18.497 13.105 64 HA SER 9 HA SER 9 26.450 -18.777 13.818 65 HB2 SER 9 2HB SER 9 25.397 -17.150 15.107 66 HB3 SER 9 1HB SER 9 27.071 -16.618 15.189 67 HG SER 9 HG SER 9 26.611 -15.067 13.608 68 H HIS 10 H HIS 10 24.661 -19.264 12.682 69 HA HIS 10 HA HIS 10 24.559 -18.409 9.961 70 HB2 HIS 10 2HB HIS 10 22.621 -19.912 9.748 71 HB3 HIS 10 1HB HIS 10 23.984 -20.694 10.529 72 HD1 HIS 10 HD1 HIS 10 23.584 -21.705 12.788 73 HD2 HIS 10 HD2 HIS 10 20.437 -19.293 11.554 74 HE1 HIS 10 HE1 HIS 10 21.747 -22.102 14.441 75 HE2 HIS 10 HE2 HIS 10 19.798 -20.785 13.567 76 H GLU 11 H GLU 11 22.980 -17.289 8.851 77 HA GLU 11 HA GLU 11 21.488 -15.354 10.502 78 HB2 GLU 11 2HB GLU 11 22.640 -15.107 7.706 79 HB3 GLU 11 1HB GLU 11 21.701 -13.855 8.514 80 HG2 GLU 11 2HG GLU 11 23.374 -13.504 10.149 81 HG3 GLU 11 1HG GLU 11 24.219 -14.984 9.714 82 H HIS 12 H HIS 12 19.319 -15.333 10.399 83 HA HIS 12 HA HIS 12 17.970 -17.426 8.986 84 HB2 HIS 12 2HB HIS 12 16.901 -15.178 10.704 85 HB3 HIS 12 1HB HIS 12 15.904 -16.464 10.042 86 HD1 HIS 12 HD1 HIS 12 17.509 -15.587 13.051 87 HD2 HIS 12 HD2 HIS 12 17.094 -19.140 10.943 88 HE1 HIS 12 HE1 HIS 12 17.898 -17.409 14.726 89 HE2 HIS 12 HE2 HIS 12 17.433 -19.535 13.478 90 H LYS 13 H LYS 13 16.937 -17.405 7.096 91 HA LYS 13 HA LYS 13 15.989 -14.826 6.005 92 HB2 LYS 13 2HB LYS 13 16.820 -17.327 4.515 93 HB3 LYS 13 1HB LYS 13 16.034 -15.949 3.758 94 HG2 LYS 13 2HG LYS 13 17.952 -14.536 4.563 95 HG3 LYS 13 1HG LYS 13 18.756 -16.029 5.046 96 HD2 LYS 13 2HD LYS 13 17.835 -15.370 2.242 97 HD3 LYS 13 1HD LYS 13 19.490 -15.217 2.829 98 HE2 LYS 13 2HE LYS 13 19.494 -17.658 3.306 99 HE3 LYS 13 1HE LYS 13 17.882 -17.764 2.593 100 HZ1 LYS 13 3HZ LYS 13 18.736 -17.100 0.490 101 HZ2 LYS 13 1HZ LYS 13 19.736 -18.341 1.059 102 HZ3 LYS 13 2HZ LYS 13 20.255 -16.734 1.139 103 H ARG 14 H ARG 14 13.857 -14.599 5.605 104 HA ARG 14 HA ARG 14 12.124 -16.971 5.527 105 HB2 ARG 14 2HB ARG 14 12.046 -16.109 7.826 106 HB3 ARG 14 1HB ARG 14 11.611 -14.515 7.228 107 HG2 ARG 14 2HG ARG 14 9.632 -15.588 8.049 108 HG3 ARG 14 1HG ARG 14 9.521 -15.483 6.293 109 HD2 ARG 14 2HD ARG 14 10.314 -17.840 6.156 110 HD3 ARG 14 1HD ARG 14 10.264 -17.923 7.915 111 HE ARG 14 HE ARG 14 7.813 -17.202 6.493 112 HH11 ARG 14 1HH1 ARG 14 9.587 -19.613 8.229 113 HH12 ARG 14 2HH1 ARG 14 8.169 -20.545 8.565 114 HH21 ARG 14 1HH2 ARG 14 6.040 -18.425 6.919 115 HH22 ARG 14 2HH2 ARG 14 6.193 -19.881 7.837 116 H ALA 15 H ALA 15 10.654 -16.904 3.938 117 HA ALA 15 HA ALA 15 10.551 -14.751 2.084 118 HB1 ALA 15 3HB ALA 15 8.749 -17.163 2.347 119 HB2 ALA 15 1HB ALA 15 10.234 -17.073 1.397 120 HB3 ALA 15 2HB ALA 15 8.837 -16.093 0.948 121 HA PRO 16 HA PRO 16 7.429 -12.168 3.880 122 HB2 PRO 16 2HB PRO 16 6.397 -10.990 1.650 123 HB3 PRO 16 1HB PRO 16 7.991 -10.593 2.305 124 HG2 PRO 16 2HG PRO 16 7.276 -12.436 0.047 125 HG3 PRO 16 1HG PRO 16 8.563 -11.218 0.129 126 HD2 PRO 16 2HD PRO 16 9.051 -13.849 0.509 127 HD3 PRO 16 1HD PRO 16 9.955 -12.590 1.377 128 H MET 17 H MET 17 5.475 -12.593 4.671 129 HA MET 17 HA MET 17 3.508 -14.047 3.010 130 HB2 MET 17 2HB MET 17 4.296 -15.583 4.652 131 HB3 MET 17 1HB MET 17 4.197 -14.382 5.930 132 HG2 MET 17 2HG MET 17 2.414 -16.040 6.094 133 HG3 MET 17 1HG MET 17 1.776 -14.420 5.823 134 HE1 MET 17 3HE MET 17 -0.833 -16.633 3.958 135 HE2 MET 17 1HE MET 17 -0.579 -15.372 5.166 136 HE3 MET 17 2HE MET 17 -0.000 -17.010 5.467 137 H PHE 18 H PHE 18 1.642 -12.977 2.680 138 HA PHE 18 HA PHE 18 0.919 -10.641 4.200 139 HB2 PHE 18 2HB PHE 18 -0.418 -12.181 1.978 140 HB3 PHE 18 1HB PHE 18 -1.290 -10.928 2.849 141 HD1 PHE 18 HD1 PHE 18 -0.472 -8.579 2.776 142 HD2 PHE 18 HD2 PHE 18 1.183 -11.630 0.307 143 HE1 PHE 18 HE1 PHE 18 0.464 -6.859 1.283 144 HE2 PHE 18 HE2 PHE 18 2.126 -9.916 -1.181 145 HZ PHE 18 HZ PHE 18 1.766 -7.527 -0.699 146 H ILE 19 H ILE 19 0.389 -11.022 6.295 147 HA ILE 19 HA ILE 19 -1.339 -13.192 7.106 148 HB ILE 19 HB ILE 19 -0.573 -10.720 8.683 149 HG12 ILE 19 2HG1 ILE 19 0.822 -13.414 8.576 150 HG13 ILE 19 1HG1 ILE 19 1.427 -11.929 7.849 151 HG21 ILE 19 1HG2 ILE 19 -1.526 -13.444 9.583 152 HG22 ILE 19 2HG2 ILE 19 -2.458 -11.947 9.631 153 HG23 ILE 19 3HG2 ILE 19 -1.029 -12.129 10.648 154 HD11 ILE 19 3HD1 ILE 19 1.618 -10.922 10.060 155 HD12 ILE 19 1HD1 ILE 19 2.544 -12.419 9.947 156 HD13 ILE 19 2HD1 ILE 19 0.997 -12.401 10.791 157 H TYR 20 H TYR 20 -1.639 -9.808 6.326 158 HA TYR 20 HA TYR 20 -4.565 -10.080 6.177 159 HB2 TYR 20 2HB TYR 20 -3.116 -7.635 7.246 160 HB3 TYR 20 1HB TYR 20 -4.849 -7.770 6.991 161 HD1 TYR 20 HD1 TYR 20 -6.229 -9.149 8.515 162 HD2 TYR 20 HD2 TYR 20 -2.059 -8.595 9.177 163 HE1 TYR 20 HE1 TYR 20 -6.498 -9.912 10.839 164 HE2 TYR 20 HE2 TYR 20 -2.319 -9.359 11.497 165 HH TYR 20 HH TYR 20 -5.150 -10.863 12.635 166 H LYS 21 H LYS 21 -5.475 -9.014 4.378 167 HA LYS 21 HA LYS 21 -3.588 -7.719 2.530 168 HB2 LYS 21 2HB LYS 21 -5.305 -7.946 0.831 169 HB3 LYS 21 1HB LYS 21 -5.071 -9.498 1.625 170 HG2 LYS 21 2HG LYS 21 -7.082 -9.208 2.915 171 HG3 LYS 21 1HG LYS 21 -7.291 -7.568 2.294 172 HD2 LYS 21 2HD LYS 21 -7.543 -8.505 0.011 173 HD3 LYS 21 1HD LYS 21 -7.417 -10.131 0.691 174 HE2 LYS 21 2HE LYS 21 -9.419 -9.699 2.055 175 HE3 LYS 21 1HE LYS 21 -9.542 -8.086 1.354 176 HZ1 LYS 21 3HZ LYS 21 -11.021 -9.718 0.304 177 HZ2 LYS 21 1HZ LYS 21 -9.674 -10.609 -0.202 178 HZ3 LYS 21 2HZ LYS 21 -9.923 -9.043 -0.790 179 HA PRO 22 HA PRO 22 -5.175 -3.651 3.649 180 HB2 PRO 22 2HB PRO 22 -4.672 -2.445 1.182 181 HB3 PRO 22 1HB PRO 22 -3.532 -2.542 2.525 182 HG2 PRO 22 2HG PRO 22 -3.704 -4.203 0.058 183 HG3 PRO 22 1HG PRO 22 -2.276 -3.692 0.975 184 HD2 PRO 22 2HD PRO 22 -3.289 -6.213 1.091 185 HD3 PRO 22 1HD PRO 22 -2.454 -5.448 2.460 186 H GLN 23 H GLN 23 -7.298 -3.145 3.677 187 HA GLN 23 HA GLN 23 -9.018 -4.419 1.702 188 HB2 GLN 23 2HB GLN 23 -10.840 -3.987 3.313 189 HB3 GLN 23 1HB GLN 23 -9.514 -4.912 4.002 190 HG2 GLN 23 2HG GLN 23 -8.670 -2.891 5.099 191 HG3 GLN 23 1HG GLN 23 -10.001 -1.962 4.406 192 HE21 GLN 23 1HE2 GLN 23 -9.112 -4.362 6.766 193 HE22 GLN 23 2HE2 GLN 23 -10.596 -4.330 7.647 194 H SER 24 H SER 24 -10.644 -3.426 0.576 195 HA SER 24 HA SER 24 -10.055 -0.865 -0.458 196 HB2 SER 24 2HB SER 24 -12.212 -1.150 -1.714 197 HB3 SER 24 1HB SER 24 -11.102 -2.509 -1.874 198 HG SER 24 HG SER 24 -13.367 -2.363 -0.155 199 H LYS 25 H LYS 25 -10.459 1.042 0.414 200 HA LYS 25 HA LYS 25 -12.882 1.414 2.066 201 HB2 LYS 25 2HB LYS 25 -10.244 2.902 2.229 202 HB3 LYS 25 1HB LYS 25 -11.661 3.231 3.218 203 HG2 LYS 25 2HG LYS 25 -10.117 0.636 3.217 204 HG3 LYS 25 1HG LYS 25 -9.930 1.929 4.400 205 HD2 LYS 25 2HD LYS 25 -12.494 0.414 3.877 206 HD3 LYS 25 1HD LYS 25 -11.380 0.082 5.202 207 HE2 LYS 25 2HE LYS 25 -11.752 2.343 6.078 208 HE3 LYS 25 1HE LYS 25 -12.860 2.673 4.750 209 HZ1 LYS 25 3HZ LYS 25 -13.235 0.621 6.858 210 HZ2 LYS 25 1HZ LYS 25 -14.290 0.896 5.564 211 HZ3 LYS 25 2HZ LYS 25 -14.063 2.088 6.738 212 H LYS 26 H LYS 26 -13.918 3.522 1.918 213 HA LYS 26 HA LYS 26 -13.382 4.948 -0.607 214 HB2 LYS 26 2HB LYS 26 -15.817 5.282 -0.868 215 HB3 LYS 26 1HB LYS 26 -15.362 3.585 -0.907 216 HG2 LYS 26 2HG LYS 26 -16.049 3.413 1.490 217 HG3 LYS 26 1HG LYS 26 -16.649 5.070 1.380 218 HD2 LYS 26 2HD LYS 26 -18.475 3.489 1.070 219 HD3 LYS 26 1HD LYS 26 -18.181 4.384 -0.423 220 HE2 LYS 26 2HE LYS 26 -16.916 2.491 -1.317 221 HE3 LYS 26 1HE LYS 26 -17.168 1.598 0.182 222 HZ1 LYS 26 3HZ LYS 26 -19.269 2.453 -1.734 223 HZ2 LYS 26 1HZ LYS 26 -19.564 1.694 -0.253 224 HZ3 LYS 26 2HZ LYS 26 -18.728 0.872 -1.468 225 H VAL 27 H VAL 27 -13.221 7.109 -0.496 226 HA VAL 27 HA VAL 27 -14.113 8.497 1.960 227 HB VAL 27 HB VAL 27 -12.076 9.899 1.893 228 HG11 VAL 27 1HG1 VAL 27 -10.522 8.248 2.798 229 HG12 VAL 27 2HG1 VAL 27 -11.474 6.944 2.090 230 HG13 VAL 27 3HG1 VAL 27 -12.163 7.945 3.370 231 HG21 VAL 27 3HG2 VAL 27 -10.146 9.205 0.524 232 HG22 VAL 27 1HG2 VAL 27 -11.520 9.688 -0.474 233 HG23 VAL 27 2HG2 VAL 27 -11.149 7.978 -0.253 234 H LEU 28 H LEU 28 -13.844 11.013 1.564 235 HA LEU 28 HA LEU 28 -15.151 11.641 -0.996 236 HB2 LEU 28 2HB LEU 28 -14.855 13.291 1.526 237 HB3 LEU 28 1HB LEU 28 -15.705 13.808 0.082 238 HG LEU 28 HG LEU 28 -16.501 11.461 1.822 239 HD11 LEU 28 1HD1 LEU 28 -17.744 14.209 1.582 240 HD12 LEU 28 2HD1 LEU 28 -16.829 13.607 2.963 241 HD13 LEU 28 3HD1 LEU 28 -18.369 12.863 2.538 242 HD21 LEU 28 3HD2 LEU 28 -17.131 11.164 -0.516 243 HD22 LEU 28 1HD2 LEU 28 -17.905 12.748 -0.525 244 HD23 LEU 28 2HD2 LEU 28 -18.552 11.452 0.485 245 H GLU 29 H GLU 29 -14.465 13.546 -2.204 246 HA GLU 29 HA GLU 29 -11.707 13.681 -2.677 247 HB2 GLU 29 2HB GLU 29 -13.848 15.712 -3.359 248 HB3 GLU 29 1HB GLU 29 -12.212 15.735 -4.006 249 HG2 GLU 29 2HG GLU 29 -12.650 13.471 -4.978 250 HG3 GLU 29 1HG GLU 29 -14.328 13.635 -4.465 251 H GLY 30 H GLY 30 -10.092 14.640 -1.615 252 HA2 GLY 30 2HA GLY 30 -9.127 16.666 -0.680 253 HA3 GLY 30 1HA GLY 30 -10.682 17.016 0.052 254 H ASP 31 H ASP 31 -10.745 13.994 0.793 255 HA ASP 31 HA ASP 31 -9.570 14.391 3.413 256 HB2 ASP 31 2HB ASP 31 -11.160 12.111 2.220 257 HB3 ASP 31 1HB ASP 31 -10.560 12.113 3.875 258 H SER 32 H SER 32 -8.754 11.990 4.258 259 HA SER 32 HA SER 32 -6.597 11.101 2.462 260 HB2 SER 32 2HB SER 32 -5.034 11.012 4.377 261 HB3 SER 32 1HB SER 32 -5.584 12.655 4.059 262 HG SER 32 HG SER 32 -5.608 12.090 6.296 263 H VAL 33 H VAL 33 -6.076 8.934 2.568 264 HA VAL 33 HA VAL 33 -7.789 7.269 4.311 265 HB VAL 33 HB VAL 33 -8.520 7.180 1.959 266 HG11 VAL 33 1HG1 VAL 33 -6.409 7.640 0.849 267 HG12 VAL 33 2HG1 VAL 33 -7.085 6.125 0.254 268 HG13 VAL 33 3HG1 VAL 33 -5.749 6.102 1.406 269 HG21 VAL 33 3HG2 VAL 33 -8.522 4.732 1.706 270 HG22 VAL 33 1HG2 VAL 33 -8.856 5.217 3.369 271 HG23 VAL 33 2HG2 VAL 33 -7.259 4.606 2.932 272 H LYS 34 H LYS 34 -6.898 5.480 5.274 273 HA LYS 34 HA LYS 34 -3.990 5.072 4.956 274 HB2 LYS 34 2HB LYS 34 -4.063 4.176 7.303 275 HB3 LYS 34 1HB LYS 34 -4.464 5.882 7.172 276 HG2 LYS 34 2HG LYS 34 -6.867 5.286 7.279 277 HG3 LYS 34 1HG LYS 34 -6.409 3.603 7.533 278 HD2 LYS 34 2HD LYS 34 -5.532 5.852 9.352 279 HD3 LYS 34 1HD LYS 34 -7.002 4.918 9.615 280 HE2 LYS 34 2HE LYS 34 -5.354 3.938 10.995 281 HE3 LYS 34 1HE LYS 34 -5.538 2.849 9.622 282 HZ1 LYS 34 3HZ LYS 34 -3.227 3.154 10.156 283 HZ2 LYS 34 1HZ LYS 34 -3.360 4.835 10.001 284 HZ3 LYS 34 2HZ LYS 34 -3.546 3.838 8.650 285 H LEU 35 H LEU 35 -3.483 3.250 3.920 286 HA LEU 35 HA LEU 35 -5.241 0.883 4.218 287 HB2 LEU 35 2HB LEU 35 -3.481 1.649 1.876 288 HB3 LEU 35 1HB LEU 35 -4.429 0.177 1.989 289 HG LEU 35 HG LEU 35 -5.573 2.979 1.905 290 HD11 LEU 35 1HD1 LEU 35 -5.489 0.845 -0.232 291 HD12 LEU 35 2HD1 LEU 35 -4.570 2.351 -0.230 292 HD13 LEU 35 3HD1 LEU 35 -6.330 2.393 -0.347 293 HD21 LEU 35 3HD2 LEU 35 -6.943 0.285 1.840 294 HD22 LEU 35 1HD2 LEU 35 -7.735 1.847 1.625 295 HD23 LEU 35 2HD2 LEU 35 -6.987 1.443 3.169 296 H GLU 36 H GLU 36 -4.292 -0.641 5.496 297 HA GLU 36 HA GLU 36 -1.392 -1.025 5.272 298 HB2 GLU 36 2HB GLU 36 -1.213 -1.107 7.768 299 HB3 GLU 36 1HB GLU 36 -1.542 0.479 7.091 300 HG2 GLU 36 2HG GLU 36 -3.966 0.108 7.632 301 HG3 GLU 36 1HG GLU 36 -3.473 -1.343 8.507 302 H CYS 37 H CYS 37 -0.558 -2.949 6.226 303 HA CYS 37 HA CYS 37 -2.361 -5.111 6.915 304 HB2 CYS 37 2HB CYS 37 -1.588 -6.585 5.084 305 HB3 CYS 37 1HB CYS 37 -2.469 -5.189 4.471 306 HG CYS 37 HG CYS 37 -0.041 -3.798 3.853 307 H GLN 38 H GLN 38 -0.984 -7.230 7.141 308 HA GLN 38 HA GLN 38 1.643 -6.514 8.306 309 HB2 GLN 38 2HB GLN 38 -0.192 -8.819 9.025 310 HB3 GLN 38 1HB GLN 38 1.394 -8.537 9.725 311 HG2 GLN 38 2HG GLN 38 -0.948 -6.654 9.948 312 HG3 GLN 38 1HG GLN 38 -0.477 -7.831 11.170 313 HE21 GLN 38 1HE2 GLN 38 2.403 -7.324 10.679 314 HE22 GLN 38 2HE2 GLN 38 2.729 -5.808 11.429 315 H ILE 39 H ILE 39 3.208 -7.022 6.868 316 HA ILE 39 HA ILE 39 3.117 -9.644 5.510 317 HB ILE 39 HB ILE 39 4.931 -7.285 4.923 318 HG12 ILE 39 2HG1 ILE 39 2.473 -8.232 3.418 319 HG13 ILE 39 1HG1 ILE 39 2.554 -6.786 4.417 320 HG21 ILE 39 1HG2 ILE 39 5.908 -9.426 4.289 321 HG22 ILE 39 2HG2 ILE 39 5.461 -8.505 2.853 322 HG23 ILE 39 3HG2 ILE 39 4.448 -9.846 3.390 323 HD11 ILE 39 3HD1 ILE 39 4.148 -7.278 1.909 324 HD12 ILE 39 1HD1 ILE 39 4.203 -5.823 2.905 325 HD13 ILE 39 2HD1 ILE 39 2.721 -6.252 2.053 326 H SER 40 H SER 40 4.249 -11.210 6.567 327 HA SER 40 HA SER 40 6.409 -10.411 8.389 328 HB2 SER 40 2HB SER 40 4.648 -11.983 9.198 329 HB3 SER 40 1HB SER 40 5.188 -13.161 8.002 330 HG SER 40 HG SER 40 6.162 -13.556 10.015 331 H ALA 41 H ALA 41 8.267 -10.087 7.288 332 HA ALA 41 HA ALA 41 9.376 -12.380 5.798 333 HB1 ALA 41 3HB ALA 41 10.357 -10.898 4.155 334 HB2 ALA 41 1HB ALA 41 9.678 -9.494 4.976 335 HB3 ALA 41 2HB ALA 41 8.611 -10.664 4.203 336 H ILE 42 H ILE 42 11.692 -12.558 5.834 337 HA ILE 42 HA ILE 42 13.154 -10.709 7.598 338 HB ILE 42 HB ILE 42 13.276 -13.729 7.846 339 HG12 ILE 42 2HG1 ILE 42 12.367 -11.593 9.799 340 HG13 ILE 42 1HG1 ILE 42 11.335 -12.758 8.979 341 HG21 ILE 42 1HG2 ILE 42 14.931 -13.350 9.626 342 HG22 ILE 42 2HG2 ILE 42 14.922 -11.624 9.259 343 HG23 ILE 42 3HG2 ILE 42 15.506 -12.779 8.060 344 HD11 ILE 42 3HD1 ILE 42 13.444 -13.380 11.033 345 HD12 ILE 42 1HD1 ILE 42 12.473 -14.578 10.173 346 HD13 ILE 42 2HD1 ILE 42 11.696 -13.426 11.261 347 HA PRO 43 HA PRO 43 14.494 -9.386 7.386 348 HB2 PRO 43 2HB PRO 43 15.798 -7.553 5.931 349 HB3 PRO 43 1HB PRO 43 16.681 -8.791 6.834 350 HG2 PRO 43 2HG PRO 43 15.995 -8.710 3.911 351 HG3 PRO 43 1HG PRO 43 17.537 -9.127 4.684 352 HD2 PRO 43 2HD PRO 43 15.713 -10.990 3.813 353 HD3 PRO 43 1HD PRO 43 16.870 -11.284 5.128 354 HA PRO 44 HA PRO 44 11.016 -7.112 5.640 355 HB2 PRO 44 2HB PRO 44 12.729 -4.649 5.760 356 HB3 PRO 44 1HB PRO 44 11.066 -4.889 6.318 357 HG2 PRO 44 2HG PRO 44 13.044 -4.866 8.077 358 HG3 PRO 44 1HG PRO 44 11.741 -6.060 8.227 359 HD2 PRO 44 2HD PRO 44 14.540 -6.426 7.232 360 HD3 PRO 44 1HD PRO 44 13.534 -7.524 8.200 361 HA PRO 45 HA PRO 45 12.338 -6.954 1.351 362 HB2 PRO 45 2HB PRO 45 9.956 -7.297 0.202 363 HB3 PRO 45 1HB PRO 45 10.675 -8.577 1.189 364 HG2 PRO 45 2HG PRO 45 8.515 -6.627 1.892 365 HG3 PRO 45 1HG PRO 45 8.644 -8.349 2.293 366 HD2 PRO 45 2HD PRO 45 9.334 -6.233 3.984 367 HD3 PRO 45 1HD PRO 45 9.857 -7.917 4.173 368 H LYS 46 H LYS 46 11.902 -5.744 -0.669 369 HA LYS 46 HA LYS 46 11.282 -2.955 -0.220 370 HB2 LYS 46 2HB LYS 46 13.090 -3.536 -1.768 371 HB3 LYS 46 1HB LYS 46 11.971 -4.452 -2.769 372 HG2 LYS 46 2HG LYS 46 12.497 -2.278 -3.747 373 HG3 LYS 46 1HG LYS 46 10.783 -2.426 -3.363 374 HD2 LYS 46 2HD LYS 46 11.200 -1.149 -1.260 375 HD3 LYS 46 1HD LYS 46 12.872 -0.914 -1.780 376 HE2 LYS 46 2HE LYS 46 12.100 0.262 -3.774 377 HE3 LYS 46 1HE LYS 46 10.422 -0.002 -3.298 378 HZ1 LYS 46 3HZ LYS 46 11.132 2.208 -2.716 379 HZ2 LYS 46 1HZ LYS 46 12.431 1.607 -1.821 380 HZ3 LYS 46 2HZ LYS 46 10.849 1.323 -1.305 381 H LEU 47 H LEU 47 9.388 -1.984 -0.535 382 HA LEU 47 HA LEU 47 7.144 -3.638 -1.463 383 HB2 LEU 47 2HB LEU 47 7.093 -1.072 0.125 384 HB3 LEU 47 1HB LEU 47 5.736 -2.146 -0.179 385 HG LEU 47 HG LEU 47 8.191 -2.926 1.411 386 HD11 LEU 47 1HD1 LEU 47 5.476 -2.029 2.359 387 HD12 LEU 47 2HD1 LEU 47 6.999 -1.165 2.563 388 HD13 LEU 47 3HD1 LEU 47 6.743 -2.708 3.381 389 HD21 LEU 47 3HD2 LEU 47 7.047 -4.823 0.382 390 HD22 LEU 47 1HD2 LEU 47 5.509 -4.284 1.059 391 HD23 LEU 47 2HD2 LEU 47 6.804 -4.825 2.128 392 H PHE 48 H PHE 48 6.394 -3.285 -3.441 393 HA PHE 48 HA PHE 48 6.630 -0.601 -4.644 394 HB2 PHE 48 2HB PHE 48 6.187 -3.300 -5.952 395 HB3 PHE 48 1HB PHE 48 6.257 -1.765 -6.811 396 HD1 PHE 48 HD1 PHE 48 8.372 -0.578 -7.076 397 HD2 PHE 48 HD2 PHE 48 8.199 -4.343 -5.087 398 HE1 PHE 48 HE1 PHE 48 10.814 -0.797 -7.281 399 HE2 PHE 48 HE2 PHE 48 10.636 -4.567 -5.302 400 HZ PHE 48 HZ PHE 48 11.948 -2.799 -6.392 401 H TRP 49 H TRP 49 4.822 0.600 -4.636 402 HA TRP 49 HA TRP 49 2.200 -0.756 -4.718 403 HB2 TRP 49 2HB TRP 49 3.011 1.941 -3.619 404 HB3 TRP 49 1HB TRP 49 1.328 1.517 -3.917 405 HD1 TRP 49 HD1 TRP 49 4.288 0.531 -1.662 406 HE1 TRP 49 HE1 TRP 49 3.353 -0.631 0.433 407 HE3 TRP 49 HE3 TRP 49 -0.630 0.261 -3.013 408 HZ2 TRP 49 HZ2 TRP 49 0.857 -1.533 1.395 409 HZ3 TRP 49 HZ3 TRP 49 -2.231 -0.759 -1.447 410 HH2 TRP 49 HH2 TRP 49 -1.500 -1.640 0.717 411 H LYS 50 H LYS 50 1.068 -0.629 -6.535 412 HA LYS 50 HA LYS 50 1.672 1.550 -8.445 413 HB2 LYS 50 2HB LYS 50 2.481 -0.688 -9.156 414 HB3 LYS 50 1HB LYS 50 0.834 -1.295 -9.062 415 HG2 LYS 50 2HG LYS 50 0.153 0.221 -10.844 416 HG3 LYS 50 1HG LYS 50 1.788 0.888 -10.912 417 HD2 LYS 50 2HD LYS 50 1.449 -0.739 -12.701 418 HD3 LYS 50 1HD LYS 50 2.660 -1.317 -11.554 419 HE2 LYS 50 2HE LYS 50 0.966 -2.736 -10.486 420 HE3 LYS 50 1HE LYS 50 -0.247 -2.152 -11.625 421 HZ1 LYS 50 3HZ LYS 50 2.190 -3.710 -12.302 422 HZ2 LYS 50 1HZ LYS 50 1.084 -3.107 -13.429 423 HZ3 LYS 50 2HZ LYS 50 0.600 -4.285 -12.316 424 H ARG 51 H ARG 51 -0.004 2.822 -8.993 425 HA ARG 51 HA ARG 51 -2.737 2.002 -8.249 426 HB2 ARG 51 2HB ARG 51 -1.955 4.018 -7.128 427 HB3 ARG 51 1HB ARG 51 -1.535 4.751 -8.670 428 HG2 ARG 51 2HG ARG 51 -3.935 4.699 -9.302 429 HG3 ARG 51 1HG ARG 51 -4.310 4.074 -7.696 430 HD2 ARG 51 2HD ARG 51 -4.709 6.439 -7.703 431 HD3 ARG 51 1HD ARG 51 -3.285 6.115 -6.714 432 HE ARG 51 HE ARG 51 -2.232 6.689 -9.141 433 HH11 ARG 51 1HH1 ARG 51 -4.496 8.301 -7.106 434 HH12 ARG 51 2HH1 ARG 51 -4.062 9.876 -7.686 435 HH21 ARG 51 1HH2 ARG 51 -1.666 8.728 -9.855 436 HH22 ARG 51 2HH2 ARG 51 -2.480 10.109 -9.208 437 H ASN 52 H ASN 52 -3.916 1.290 -9.929 438 HA ASN 52 HA ASN 52 -4.819 1.074 -12.014 439 HB2 ASN 52 2HB ASN 52 -5.645 3.352 -11.167 440 HB3 ASN 52 1HB ASN 52 -4.458 4.068 -12.250 441 HD21 ASN 52 1HD2 ASN 52 -7.351 4.288 -12.291 442 HD22 ASN 52 2HD2 ASN 52 -7.857 3.713 -13.839 443 H ASN 53 H ASN 53 -2.459 0.168 -12.316 444 HA ASN 53 HA ASN 53 -0.929 -0.429 -13.871 445 HB2 ASN 53 2HB ASN 53 -2.200 1.669 -15.641 446 HB3 ASN 53 1HB ASN 53 -1.078 0.418 -16.168 447 HD21 ASN 53 1HD2 ASN 53 -3.781 0.923 -17.040 448 HD22 ASN 53 2HD2 ASN 53 -4.678 -0.518 -16.723 449 H GLU 54 H GLU 54 -0.923 2.598 -12.441 450 HA GLU 54 HA GLU 54 1.815 3.153 -13.432 451 HB2 GLU 54 2HB GLU 54 -0.373 5.119 -12.727 452 HB3 GLU 54 1HB GLU 54 1.306 5.583 -12.970 453 HG2 GLU 54 2HG GLU 54 1.222 4.795 -15.261 454 HG3 GLU 54 1HG GLU 54 -0.434 4.237 -15.028 455 H MET 55 H MET 55 3.391 3.388 -11.919 456 HA MET 55 HA MET 55 2.898 2.607 -9.250 457 HB2 MET 55 2HB MET 55 5.026 2.109 -10.207 458 HB3 MET 55 1HB MET 55 5.331 3.801 -10.577 459 HG2 MET 55 2HG MET 55 5.660 4.331 -8.287 460 HG3 MET 55 1HG MET 55 5.048 2.763 -7.764 461 HE1 MET 55 3HE MET 55 6.334 0.679 -9.578 462 HE2 MET 55 1HE MET 55 6.372 0.551 -7.819 463 HE3 MET 55 2HE MET 55 7.849 0.311 -8.752 464 H VAL 56 H VAL 56 2.945 3.697 -7.314 465 HA VAL 56 HA VAL 56 2.123 6.478 -7.382 466 HB VAL 56 HB VAL 56 2.585 4.774 -4.927 467 HG11 VAL 56 1HG1 VAL 56 0.817 7.176 -5.411 468 HG12 VAL 56 2HG1 VAL 56 2.314 7.149 -4.478 469 HG13 VAL 56 3HG1 VAL 56 0.906 6.253 -3.909 470 HG21 VAL 56 3HG2 VAL 56 0.224 4.135 -5.036 471 HG22 VAL 56 1HG2 VAL 56 1.105 3.562 -6.454 472 HG23 VAL 56 2HG2 VAL 56 0.059 4.979 -6.575 473 H GLN 57 H GLN 57 3.485 8.173 -7.163 474 HA GLN 57 HA GLN 57 6.247 7.707 -6.346 475 HB2 GLN 57 2HB GLN 57 4.901 10.213 -7.380 476 HB3 GLN 57 1HB GLN 57 6.622 10.044 -7.059 477 HG2 GLN 57 2HG GLN 57 6.719 8.242 -8.760 478 HG3 GLN 57 1HG GLN 57 5.021 8.545 -9.126 479 HE21 GLN 57 1HE2 GLN 57 8.261 9.730 -9.404 480 HE22 GLN 57 2HE2 GLN 57 7.919 10.996 -10.526 481 H PHE 58 H PHE 58 6.835 7.859 -4.295 482 HA PHE 58 HA PHE 58 5.239 9.384 -2.381 483 HB2 PHE 58 2HB PHE 58 7.687 7.677 -1.842 484 HB3 PHE 58 1HB PHE 58 6.498 8.233 -0.669 485 HD1 PHE 58 HD1 PHE 58 4.199 7.267 -0.691 486 HD2 PHE 58 HD2 PHE 58 7.319 5.723 -3.145 487 HE1 PHE 58 HE1 PHE 58 2.904 5.207 -1.042 488 HE2 PHE 58 HE2 PHE 58 6.027 3.659 -3.494 489 HZ PHE 58 HZ PHE 58 3.813 3.400 -2.442 490 H ASN 59 H ASN 59 5.812 11.507 -3.129 491 HA ASN 59 HA ASN 59 8.576 12.344 -2.475 492 HB2 ASN 59 2HB ASN 59 8.328 14.139 -4.123 493 HB3 ASN 59 1HB ASN 59 8.057 12.566 -4.871 494 HD21 ASN 59 1HD2 ASN 59 7.101 15.431 -5.352 495 HD22 ASN 59 2HD2 ASN 59 5.402 15.247 -5.591 496 H THR 60 H THR 60 5.167 13.220 -2.225 497 HA THR 60 HA THR 60 5.838 15.618 -0.638 498 HB THR 60 HB THR 60 4.475 16.203 -2.505 499 HG1 THR 60 HG1 THR 60 3.338 17.405 -1.200 500 HG21 THR 60 3HG2 THR 60 2.570 14.010 -1.664 501 HG22 THR 60 1HG2 THR 60 3.631 13.978 -3.074 502 HG23 THR 60 2HG2 THR 60 2.313 15.149 -2.987 503 H ASP 61 H ASP 61 4.121 16.180 1.074 504 HA ASP 61 HA ASP 61 3.882 14.048 2.952 505 HB2 ASP 61 2HB ASP 61 4.117 16.427 3.615 506 HB3 ASP 61 1HB ASP 61 2.516 16.757 2.962 507 H ARG 62 H ARG 62 1.935 15.112 0.344 508 HA ARG 62 HA ARG 62 -0.594 14.116 1.192 509 HB2 ARG 62 2HB ARG 62 0.569 14.655 -1.546 510 HB3 ARG 62 1HB ARG 62 -1.077 14.087 -1.315 511 HG2 ARG 62 2HG ARG 62 -1.694 16.089 -0.168 512 HG3 ARG 62 1HG ARG 62 -0.014 16.630 -0.094 513 HD2 ARG 62 2HD ARG 62 0.029 17.266 -2.297 514 HD3 ARG 62 1HD ARG 62 -1.161 16.061 -2.781 515 HE ARG 62 HE ARG 62 -2.887 17.510 -1.987 516 HH11 ARG 62 1HH1 ARG 62 0.235 18.988 -1.983 517 HH12 ARG 62 2HH1 ARG 62 -0.417 20.583 -2.097 518 HH21 ARG 62 1HH2 ARG 62 -3.692 19.545 -2.136 519 HH22 ARG 62 2HH2 ARG 62 -2.615 20.898 -2.182 520 H ILE 63 H ILE 63 2.215 12.607 -0.270 521 HA ILE 63 HA ILE 63 0.797 10.009 -0.225 522 HB ILE 63 HB ILE 63 2.937 10.868 -2.196 523 HG12 ILE 63 2HG1 ILE 63 0.730 11.896 -2.648 524 HG13 ILE 63 1HG1 ILE 63 1.189 10.747 -3.902 525 HG21 ILE 63 1HG2 ILE 63 3.151 8.516 -1.678 526 HG22 ILE 63 2HG2 ILE 63 2.486 8.703 -3.300 527 HG23 ILE 63 3HG2 ILE 63 1.428 8.263 -1.960 528 HD11 ILE 63 3HD1 ILE 63 -1.164 10.552 -3.348 529 HD12 ILE 63 1HD1 ILE 63 -0.762 10.235 -1.660 530 HD13 ILE 63 2HD1 ILE 63 -0.300 9.079 -2.909 531 H SER 64 H SER 64 1.713 8.559 1.138 532 HA SER 64 HA SER 64 4.598 8.605 1.614 533 HB2 SER 64 2HB SER 64 2.636 8.945 3.903 534 HB3 SER 64 1HB SER 64 4.381 8.751 4.055 535 HG SER 64 HG SER 64 4.141 10.741 2.435 536 H LEU 65 H LEU 65 5.431 6.736 2.598 537 HA LEU 65 HA LEU 65 3.585 4.538 3.212 538 HB2 LEU 65 2HB LEU 65 4.199 4.243 0.860 539 HB3 LEU 65 1HB LEU 65 5.899 4.359 1.272 540 HG LEU 65 HG LEU 65 5.628 2.261 2.645 541 HD11 LEU 65 1HD1 LEU 65 3.220 2.359 2.986 542 HD12 LEU 65 2HD1 LEU 65 3.689 0.844 2.219 543 HD13 LEU 65 3HD1 LEU 65 2.951 2.126 1.258 544 HD21 LEU 65 3HD2 LEU 65 5.652 0.761 0.706 545 HD22 LEU 65 1HD2 LEU 65 6.623 2.206 0.425 546 HD23 LEU 65 2HD2 LEU 65 5.024 2.060 -0.309 547 H TYR 66 H TYR 66 4.209 3.498 5.067 548 HA TYR 66 HA TYR 66 7.078 3.359 5.655 549 HB2 TYR 66 2HB TYR 66 6.807 3.967 7.983 550 HB3 TYR 66 1HB TYR 66 6.218 5.265 6.960 551 HD1 TYR 66 HD2 TYR 66 3.829 5.816 6.898 552 HD2 TYR 66 HD1 TYR 66 5.299 2.704 9.411 553 HE1 TYR 66 HE2 TYR 66 1.726 5.854 8.173 554 HE2 TYR 66 HE1 TYR 66 3.202 2.738 10.689 555 HH TYR 66 HH TYR 66 0.413 4.328 9.613 556 H GLN 67 H GLN 67 7.765 1.561 6.743 557 HA GLN 67 HA GLN 67 5.729 -0.509 7.286 558 HB2 GLN 67 2HB GLN 67 7.241 -2.200 6.357 559 HB3 GLN 67 1HB GLN 67 6.839 -0.984 5.154 560 HG2 GLN 67 2HG GLN 67 9.042 0.131 5.734 561 HG3 GLN 67 1HG GLN 67 9.432 -1.327 6.644 562 HE21 GLN 67 1HE2 GLN 67 9.678 -3.298 5.482 563 HE22 GLN 67 2HE2 GLN 67 10.048 -3.295 3.793 564 H ASP 68 H ASP 68 5.899 -1.517 9.212 565 HA ASP 68 HA ASP 68 8.068 -0.686 10.984 566 HB2 ASP 68 2HB ASP 68 6.451 -0.621 12.537 567 HB3 ASP 68 1HB ASP 68 5.288 -1.144 11.328 568 H ASN 69 H ASN 69 8.770 -2.448 12.637 569 HA ASN 69 HA ASN 69 10.304 -4.294 11.152 570 HB2 ASN 69 2HB ASN 69 10.981 -3.218 13.317 571 HB3 ASN 69 1HB ASN 69 9.873 -4.308 14.145 572 HD21 ASN 69 1HD2 ASN 69 11.955 -5.026 11.385 573 HD22 ASN 69 2HD2 ASN 69 12.915 -6.204 12.209 574 H THR 70 H THR 70 7.310 -4.764 13.056 575 HA THR 70 HA THR 70 7.518 -7.656 12.779 576 HB THR 70 HB THR 70 6.495 -6.742 14.838 577 HG1 THR 70 HG1 THR 70 4.724 -8.316 13.232 578 HG21 THR 70 3HG2 THR 70 4.214 -5.922 13.031 579 HG22 THR 70 1HG2 THR 70 5.287 -4.831 13.904 580 HG23 THR 70 2HG2 THR 70 4.193 -5.889 14.794 581 H GLY 71 H GLY 71 6.567 -5.229 10.720 582 HA2 GLY 71 2HA GLY 71 6.350 -6.076 8.439 583 HA3 GLY 71 1HA GLY 71 5.250 -7.292 9.051 584 H ARG 72 H ARG 72 4.550 -4.289 10.490 585 HA ARG 72 HA ARG 72 2.111 -4.131 8.975 586 HB2 ARG 72 2HB ARG 72 2.128 -3.581 11.368 587 HB3 ARG 72 1HB ARG 72 3.181 -2.206 11.054 588 HG2 ARG 72 2HG ARG 72 1.472 -1.073 9.831 589 HG3 ARG 72 1HG ARG 72 0.448 -2.506 9.811 590 HD2 ARG 72 2HD ARG 72 1.231 -0.958 12.287 591 HD3 ARG 72 1HD ARG 72 -0.314 -0.820 11.445 592 HE ARG 72 HE ARG 72 0.640 -3.235 12.841 593 HH11 ARG 72 1HH1 ARG 72 -1.951 -1.292 11.627 594 HH12 ARG 72 2HH1 ARG 72 -3.168 -2.291 12.338 595 HH21 ARG 72 1HH2 ARG 72 -0.933 -4.496 13.743 596 HH22 ARG 72 2HH2 ARG 72 -2.599 -4.097 13.508 597 H VAL 73 H VAL 73 2.068 -3.372 7.007 598 HA VAL 73 HA VAL 73 3.801 -1.125 6.210 599 HB VAL 73 HB VAL 73 2.246 -3.081 4.491 600 HG11 VAL 73 1HG1 VAL 73 4.252 -0.964 3.697 601 HG12 VAL 73 2HG1 VAL 73 2.512 -0.903 3.411 602 HG13 VAL 73 3HG1 VAL 73 3.494 -2.130 2.612 603 HG21 VAL 73 3HG2 VAL 73 4.428 -4.045 3.935 604 HG22 VAL 73 1HG2 VAL 73 4.105 -4.160 5.665 605 HG23 VAL 73 2HG2 VAL 73 5.215 -2.931 5.056 606 H THR 74 H THR 74 2.808 0.826 6.347 607 HA THR 74 HA THR 74 -0.095 0.971 5.793 608 HB THR 74 HB THR 74 1.583 2.846 7.479 609 HG1 THR 74 HG1 THR 74 -0.564 1.507 8.612 610 HG21 THR 74 3HG2 THR 74 -0.559 3.902 8.078 611 HG22 THR 74 1HG2 THR 74 -1.397 2.850 6.935 612 HG23 THR 74 2HG2 THR 74 -0.235 4.042 6.351 613 H LEU 75 H LEU 75 -0.669 1.917 3.976 614 HA LEU 75 HA LEU 75 1.060 3.868 2.637 615 HB2 LEU 75 2HB LEU 75 0.149 2.053 1.279 616 HB3 LEU 75 1HB LEU 75 -1.483 2.478 1.762 617 HG LEU 75 HG LEU 75 -1.195 4.678 0.596 618 HD11 LEU 75 1HD1 LEU 75 0.635 4.936 -0.998 619 HD12 LEU 75 2HD1 LEU 75 1.343 3.419 -0.444 620 HD13 LEU 75 3HD1 LEU 75 1.242 4.797 0.652 621 HD21 LEU 75 3HD2 LEU 75 -0.847 2.210 -1.110 622 HD22 LEU 75 1HD2 LEU 75 -1.456 3.770 -1.665 623 HD23 LEU 75 2HD2 LEU 75 -2.371 2.836 -0.482 624 H LEU 76 H LEU 76 0.564 6.014 2.511 625 HA LEU 76 HA LEU 76 -1.990 6.921 3.699 626 HB2 LEU 76 2HB LEU 76 0.717 8.262 3.847 627 HB3 LEU 76 1HB LEU 76 -0.775 8.924 4.490 628 HG LEU 76 HG LEU 76 0.567 6.384 5.445 629 HD11 LEU 76 1HD1 LEU 76 1.069 7.663 7.472 630 HD12 LEU 76 2HD1 LEU 76 0.387 9.112 6.732 631 HD13 LEU 76 3HD1 LEU 76 1.838 8.374 6.053 632 HD21 LEU 76 3HD2 LEU 76 -1.854 6.266 5.697 633 HD22 LEU 76 1HD2 LEU 76 -1.867 7.841 6.495 634 HD23 LEU 76 2HD2 LEU 76 -1.081 6.465 7.268 635 H ILE 77 H ILE 77 -3.270 7.908 2.279 636 HA ILE 77 HA ILE 77 -2.051 9.537 0.128 637 HB ILE 77 HB ILE 77 -4.595 7.903 -0.058 638 HG12 ILE 77 2HG1 ILE 77 -1.942 7.495 -1.475 639 HG13 ILE 77 1HG1 ILE 77 -2.484 6.555 -0.087 640 HG21 ILE 77 1HG2 ILE 77 -4.734 9.961 -1.365 641 HG22 ILE 77 2HG2 ILE 77 -4.611 8.558 -2.424 642 HG23 ILE 77 3HG2 ILE 77 -3.201 9.581 -2.154 643 HD11 ILE 77 3HD1 ILE 77 -2.827 5.346 -2.149 644 HD12 ILE 77 1HD1 ILE 77 -3.807 6.666 -2.789 645 HD13 ILE 77 2HD1 ILE 77 -4.374 5.736 -1.401 646 H LYS 78 H LYS 78 -2.494 11.628 0.417 647 HA LYS 78 HA LYS 78 -4.948 12.406 1.869 648 HB2 LYS 78 2HB LYS 78 -2.362 13.964 1.644 649 HB3 LYS 78 1HB LYS 78 -3.755 14.380 2.632 650 HG2 LYS 78 2HG LYS 78 -3.377 12.367 3.994 651 HG3 LYS 78 1HG LYS 78 -1.963 11.981 3.008 652 HD2 LYS 78 2HD LYS 78 -0.962 14.157 3.667 653 HD3 LYS 78 1HD LYS 78 -2.346 14.440 4.726 654 HE2 LYS 78 2HE LYS 78 -1.777 12.449 6.017 655 HE3 LYS 78 1HE LYS 78 -0.411 12.130 4.946 656 HZ1 LYS 78 3HZ LYS 78 0.501 14.306 5.625 657 HZ2 LYS 78 1HZ LYS 78 0.373 13.211 6.907 658 HZ3 LYS 78 2HZ LYS 78 -0.751 14.459 6.747 659 H ASP 79 H ASP 79 -6.135 14.217 1.174 660 HA ASP 79 HA ASP 79 -6.986 15.812 -0.203 661 HB2 ASP 79 2HB ASP 79 -4.574 16.647 0.129 662 HB3 ASP 79 1HB ASP 79 -4.253 16.018 -1.483 663 H VAL 80 H VAL 80 -6.953 13.001 -0.969 664 HA VAL 80 HA VAL 80 -6.421 12.715 -3.762 665 HB VAL 80 HB VAL 80 -6.367 10.875 -2.021 666 HG11 VAL 80 1HG1 VAL 80 -9.362 10.946 -2.376 667 HG12 VAL 80 2HG1 VAL 80 -8.484 11.389 -0.912 668 HG13 VAL 80 3HG1 VAL 80 -8.452 9.722 -1.489 669 HG21 VAL 80 3HG2 VAL 80 -6.281 10.372 -4.411 670 HG22 VAL 80 1HG2 VAL 80 -8.043 10.335 -4.478 671 HG23 VAL 80 2HG2 VAL 80 -7.167 9.129 -3.532 672 H ASN 81 H ASN 81 -7.850 12.673 -5.518 673 HA ASN 81 HA ASN 81 -10.665 13.375 -4.951 674 HB2 ASN 81 2HB ASN 81 -10.626 14.659 -7.125 675 HB3 ASN 81 1HB ASN 81 -9.681 15.352 -5.816 676 HD21 ASN 81 1HD2 ASN 81 -8.932 12.773 -8.168 677 HD22 ASN 81 2HD2 ASN 81 -7.502 13.531 -8.757 678 H LYS 82 H LYS 82 -12.030 13.032 -7.114 679 HA LYS 82 HA LYS 82 -12.452 10.366 -7.533 680 HB2 LYS 82 2HB LYS 82 -12.895 12.670 -9.431 681 HB3 LYS 82 1HB LYS 82 -13.436 11.040 -9.797 682 HG2 LYS 82 2HG LYS 82 -14.274 12.505 -7.307 683 HG3 LYS 82 1HG LYS 82 -15.158 12.617 -8.832 684 HD2 LYS 82 2HD LYS 82 -15.168 10.026 -8.751 685 HD3 LYS 82 1HD LYS 82 -14.760 10.228 -7.046 686 HE2 LYS 82 2HE LYS 82 -16.775 11.515 -6.678 687 HE3 LYS 82 1HE LYS 82 -17.163 11.462 -8.395 688 HZ1 LYS 82 3HZ LYS 82 -17.046 9.122 -6.568 689 HZ2 LYS 82 1HZ LYS 82 -17.375 9.053 -8.224 690 HZ3 LYS 82 2HZ LYS 82 -18.448 9.836 -7.184 691 H LYS 83 H LYS 83 -10.481 12.418 -9.682 692 HA LYS 83 HA LYS 83 -9.807 10.381 -11.503 693 HB2 LYS 83 2HB LYS 83 -8.448 13.001 -10.864 694 HB3 LYS 83 1HB LYS 83 -7.979 11.966 -12.208 695 HG2 LYS 83 2HG LYS 83 -10.690 13.234 -11.827 696 HG3 LYS 83 1HG LYS 83 -9.433 13.783 -12.940 697 HD2 LYS 83 2HD LYS 83 -9.543 11.557 -14.061 698 HD3 LYS 83 1HD LYS 83 -10.902 11.139 -13.016 699 HE2 LYS 83 2HE LYS 83 -11.644 11.904 -15.232 700 HE3 LYS 83 1HE LYS 83 -12.213 12.962 -13.943 701 HZ1 LYS 83 3HZ LYS 83 -9.765 13.541 -15.507 702 HZ2 LYS 83 1HZ LYS 83 -10.646 14.598 -14.519 703 HZ3 LYS 83 2HZ LYS 83 -11.295 14.073 -15.991 704 H ASP 84 H ASP 84 -8.719 10.730 -8.329 705 HA ASP 84 HA ASP 84 -6.143 9.436 -8.863 706 HB2 ASP 84 2HB ASP 84 -7.300 10.706 -6.373 707 HB3 ASP 84 1HB ASP 84 -5.794 9.791 -6.377 708 H ALA 85 H ALA 85 -9.254 8.419 -8.325 709 HA ALA 85 HA ALA 85 -8.685 6.272 -6.464 710 HB1 ALA 85 3HB ALA 85 -11.131 6.794 -8.154 711 HB2 ALA 85 1HB ALA 85 -10.886 7.324 -6.490 712 HB3 ALA 85 2HB ALA 85 -11.008 5.603 -6.857 713 H GLY 86 H GLY 86 -8.571 4.055 -6.929 714 HA2 GLY 86 2HA GLY 86 -8.950 2.865 -9.440 715 HA3 GLY 86 1HA GLY 86 -7.262 3.338 -9.329 716 H TRP 87 H TRP 87 -7.320 0.836 -9.665 717 HA TRP 87 HA TRP 87 -7.343 -0.551 -7.090 718 HB2 TRP 87 2HB TRP 87 -7.009 -1.479 -9.936 719 HB3 TRP 87 1HB TRP 87 -6.568 -2.524 -8.589 720 HD1 TRP 87 HD1 TRP 87 -9.676 -0.727 -10.031 721 HE1 TRP 87 HE1 TRP 87 -11.766 -2.033 -9.296 722 HE3 TRP 87 HE3 TRP 87 -7.451 -4.173 -6.978 723 HZ2 TRP 87 HZ2 TRP 87 -12.395 -4.239 -7.649 724 HZ3 TRP 87 HZ3 TRP 87 -8.867 -5.850 -5.862 725 HH2 TRP 87 HH2 TRP 87 -11.288 -5.881 -6.190 726 H TYR 88 H TYR 88 -5.614 -0.830 -5.886 727 HA TYR 88 HA TYR 88 -2.972 -0.081 -6.902 728 HB2 TYR 88 2HB TYR 88 -4.011 -0.472 -4.082 729 HB3 TYR 88 1HB TYR 88 -2.340 -0.078 -4.475 730 HD1 TYR 88 HD1 TYR 88 -5.818 1.186 -5.030 731 HD2 TYR 88 HD2 TYR 88 -1.698 2.157 -4.557 732 HE1 TYR 88 HE1 TYR 88 -6.385 3.574 -5.025 733 HE2 TYR 88 HE2 TYR 88 -2.261 4.550 -4.546 734 HH TYR 88 HH TYR 88 -5.458 5.690 -4.253 735 H THR 89 H THR 89 -1.577 -1.627 -7.472 736 HA THR 89 HA THR 89 -1.847 -4.335 -6.356 737 HB THR 89 HB THR 89 -0.078 -3.363 -8.628 738 HG1 THR 89 HG1 THR 89 -2.593 -4.698 -8.554 739 HG21 THR 89 3HG2 THR 89 -0.618 -6.170 -7.627 740 HG22 THR 89 1HG2 THR 89 0.903 -5.288 -7.471 741 HG23 THR 89 2HG2 THR 89 0.314 -5.756 -9.066 742 H VAL 90 H VAL 90 -0.667 -4.807 -4.601 743 HA VAL 90 HA VAL 90 1.820 -3.312 -4.103 744 HB VAL 90 HB VAL 90 0.239 -3.157 -2.276 745 HG11 VAL 90 1HG1 VAL 90 0.310 -6.175 -2.150 746 HG12 VAL 90 2HG1 VAL 90 -1.054 -5.186 -2.673 747 HG13 VAL 90 3HG1 VAL 90 -0.503 -5.112 -1.000 748 HG21 VAL 90 3HG2 VAL 90 2.603 -3.220 -1.687 749 HG22 VAL 90 1HG2 VAL 90 2.544 -4.980 -1.565 750 HG23 VAL 90 2HG2 VAL 90 1.633 -3.986 -0.429 751 H SER 91 H SER 91 3.729 -4.266 -4.326 752 HA SER 91 HA SER 91 3.880 -7.222 -4.320 753 HB2 SER 91 2HB SER 91 5.431 -5.311 -6.097 754 HB3 SER 91 1HB SER 91 5.644 -7.062 -6.053 755 HG SER 91 HG SER 91 3.116 -6.777 -6.442 756 H ALA 92 H ALA 92 5.158 -7.998 -2.769 757 HA ALA 92 HA ALA 92 7.304 -6.289 -1.675 758 HB1 ALA 92 3HB ALA 92 5.566 -6.941 -0.065 759 HB2 ALA 92 1HB ALA 92 7.138 -7.618 0.362 760 HB3 ALA 92 2HB ALA 92 5.910 -8.641 -0.386 761 H VAL 93 H VAL 93 9.297 -6.822 -2.378 762 HA VAL 93 HA VAL 93 9.792 -9.622 -3.179 763 HB VAL 93 HB VAL 93 9.966 -8.086 -5.049 764 HG11 VAL 93 1HG1 VAL 93 11.639 -6.327 -5.164 765 HG12 VAL 93 2HG1 VAL 93 12.155 -6.683 -3.516 766 HG13 VAL 93 3HG1 VAL 93 10.538 -6.043 -3.815 767 HG21 VAL 93 3HG2 VAL 93 11.429 -10.029 -5.054 768 HG22 VAL 93 1HG2 VAL 93 12.668 -9.127 -4.181 769 HG23 VAL 93 2HG2 VAL 93 12.230 -8.661 -5.824 770 H ASN 94 H ASN 94 10.842 -10.718 -1.670 771 HA ASN 94 HA ASN 94 13.211 -9.508 -0.375 772 HB2 ASN 94 2HB ASN 94 11.394 -10.315 1.152 773 HB3 ASN 94 1HB ASN 94 11.599 -11.933 0.496 774 HD21 ASN 94 1HD2 ASN 94 11.901 -10.933 3.224 775 HD22 ASN 94 2HD2 ASN 94 13.498 -11.360 3.709 776 H GLU 95 H GLU 95 15.159 -10.844 -0.294 777 HA GLU 95 HA GLU 95 15.760 -12.296 -2.621 778 HB2 GLU 95 2HB GLU 95 17.806 -13.012 -1.471 779 HB3 GLU 95 1HB GLU 95 17.503 -11.301 -1.207 780 HG2 GLU 95 2HG GLU 95 16.641 -11.775 1.023 781 HG3 GLU 95 1HG GLU 95 16.885 -13.502 0.762 782 H ALA 96 H ALA 96 14.579 -13.332 0.522 783 HA ALA 96 HA ALA 96 14.747 -16.140 0.056 784 HB1 ALA 96 3HB ALA 96 14.704 -15.172 2.301 785 HB2 ALA 96 1HB ALA 96 13.416 -16.358 2.080 786 HB3 ALA 96 2HB ALA 96 13.046 -14.633 2.037 787 H GLY 97 H GLY 97 12.620 -13.830 -1.243 788 HA2 GLY 97 2HA GLY 97 11.189 -15.370 -2.911 789 HA3 GLY 97 1HA GLY 97 10.311 -15.606 -1.411 790 H VAL 98 H VAL 98 9.128 -14.522 -3.712 791 HA VAL 98 HA VAL 98 8.642 -11.721 -2.877 792 HB VAL 98 HB VAL 98 9.717 -11.847 -5.088 793 HG11 VAL 98 1HG1 VAL 98 7.279 -13.436 -5.903 794 HG12 VAL 98 2HG1 VAL 98 8.941 -14.021 -5.828 795 HG13 VAL 98 3HG1 VAL 98 8.494 -12.793 -7.013 796 HG21 VAL 98 3HG2 VAL 98 8.113 -10.455 -6.322 797 HG22 VAL 98 1HG2 VAL 98 8.196 -9.995 -4.620 798 HG23 VAL 98 2HG2 VAL 98 6.833 -10.946 -5.212 799 H THR 99 H THR 99 6.488 -10.957 -2.844 800 HA THR 99 HA THR 99 4.326 -12.839 -3.497 801 HB THR 99 HB THR 99 4.672 -13.242 -1.125 802 HG1 THR 99 HG1 THR 99 2.563 -13.366 -1.134 803 HG21 THR 99 3HG2 THR 99 4.213 -10.275 -0.751 804 HG22 THR 99 1HG2 THR 99 5.747 -11.116 -0.525 805 HG23 THR 99 2HG2 THR 99 4.385 -11.465 0.539 806 H THR 100 H THR 100 2.360 -11.876 -4.068 807 HA THR 100 HA THR 100 2.296 -8.919 -4.126 808 HB THR 100 HB THR 100 1.607 -10.727 -6.462 809 HG1 THR 100 HG1 THR 100 3.802 -10.462 -6.410 810 HG21 THR 100 3HG2 THR 100 0.097 -8.792 -6.349 811 HG22 THR 100 1HG2 THR 100 1.204 -8.660 -7.716 812 HG23 THR 100 2HG2 THR 100 1.488 -7.711 -6.256 813 H CYS 101 H CYS 101 0.300 -7.953 -3.931 814 HA CYS 101 HA CYS 101 -2.132 -9.591 -3.942 815 HB2 CYS 101 2HB CYS 101 -1.397 -9.523 -1.585 816 HB3 CYS 101 1HB CYS 101 -1.379 -7.765 -1.641 817 HG CYS 101 HG CYS 101 -3.738 -9.504 -0.535 818 H ASN 102 H ASN 102 -4.137 -8.077 -3.717 819 HA ASN 102 HA ASN 102 -3.579 -5.555 -5.157 820 HB2 ASN 102 2HB ASN 102 -5.766 -7.566 -5.707 821 HB3 ASN 102 1HB ASN 102 -5.789 -5.922 -6.340 822 HD21 ASN 102 1HD2 ASN 102 -4.252 -9.027 -6.511 823 HD22 ASN 102 2HD2 ASN 102 -3.376 -8.723 -7.967 824 H THR 103 H THR 103 -5.060 -3.846 -4.907 825 HA THR 103 HA THR 103 -6.899 -3.966 -2.614 826 HB THR 103 HB THR 103 -4.757 -1.833 -2.894 827 HG1 THR 103 HG1 THR 103 -4.931 -4.160 -1.293 828 HG21 THR 103 3HG2 THR 103 -5.507 -1.092 -0.681 829 HG22 THR 103 1HG2 THR 103 -6.757 -2.338 -0.677 830 HG23 THR 103 2HG2 THR 103 -6.829 -1.019 -1.845 831 H ARG 104 H ARG 104 -8.548 -2.352 -2.671 832 HA ARG 104 HA ARG 104 -8.641 -0.749 -5.157 833 HB2 ARG 104 2HB ARG 104 -10.314 -2.488 -5.285 834 HB3 ARG 104 1HB ARG 104 -10.916 -2.093 -3.680 835 HG2 ARG 104 2HG ARG 104 -11.686 0.084 -4.505 836 HG3 ARG 104 1HG ARG 104 -11.080 -0.314 -6.115 837 HD2 ARG 104 2HD ARG 104 -12.658 -2.114 -6.328 838 HD3 ARG 104 1HD ARG 104 -13.164 -1.938 -4.646 839 HE ARG 104 HE ARG 104 -13.685 0.492 -5.700 840 HH11 ARG 104 1HH1 ARG 104 -14.607 -2.717 -6.592 841 HH12 ARG 104 2HH1 ARG 104 -16.063 -2.183 -7.359 842 HH21 ARG 104 1HH2 ARG 104 -15.536 1.135 -6.665 843 HH22 ARG 104 2HH2 ARG 104 -16.581 -0.030 -7.406 844 H LEU 105 H LEU 105 -9.261 1.398 -5.009 845 HA LEU 105 HA LEU 105 -10.066 2.411 -2.358 846 HB2 LEU 105 2HB LEU 105 -7.693 2.913 -2.659 847 HB3 LEU 105 1HB LEU 105 -8.028 3.673 -4.202 848 HG LEU 105 HG LEU 105 -9.356 5.417 -3.031 849 HD11 LEU 105 1HD1 LEU 105 -10.031 4.154 -1.068 850 HD12 LEU 105 2HD1 LEU 105 -9.186 5.626 -0.593 851 HD13 LEU 105 3HD1 LEU 105 -8.356 4.071 -0.521 852 HD21 LEU 105 3HD2 LEU 105 -6.999 5.806 -3.568 853 HD22 LEU 105 1HD2 LEU 105 -6.530 5.125 -2.009 854 HD23 LEU 105 2HD2 LEU 105 -7.466 6.618 -2.076 855 H ASP 106 H ASP 106 -11.916 3.505 -2.441 856 HA ASP 106 HA ASP 106 -12.826 4.568 -5.041 857 HB2 ASP 106 2HB ASP 106 -14.381 3.603 -2.633 858 HB3 ASP 106 1HB ASP 106 -15.127 4.446 -3.987 859 H VAL 107 H VAL 107 -13.268 6.683 -5.271 860 HA VAL 107 HA VAL 107 -13.365 8.380 -2.851 861 HB VAL 107 HB VAL 107 -12.320 9.206 -5.576 862 HG11 VAL 107 1HG1 VAL 107 -12.383 10.687 -2.939 863 HG12 VAL 107 2HG1 VAL 107 -13.332 11.064 -4.378 864 HG13 VAL 107 3HG1 VAL 107 -11.580 11.249 -4.407 865 HG21 VAL 107 3HG2 VAL 107 -10.785 7.642 -4.492 866 HG22 VAL 107 1HG2 VAL 107 -10.794 8.627 -3.028 867 HG23 VAL 107 2HG2 VAL 107 -10.104 9.270 -4.519 868 H THR 108 H THR 108 -14.958 9.918 -2.722 869 HA THR 108 HA THR 108 -16.969 9.943 -4.891 870 HB THR 108 HB THR 108 -17.448 10.083 -1.907 871 HG1 THR 108 HG1 THR 108 -18.229 8.065 -2.130 872 HG21 THR 108 3HG2 THR 108 -19.011 11.575 -3.054 873 HG22 THR 108 1HG2 THR 108 -19.851 10.139 -2.465 874 HG23 THR 108 2HG2 THR 108 -19.440 10.283 -4.175 875 H ALA 109 H ALA 109 -17.980 11.893 -5.390 876 HA ALA 109 HA ALA 109 -16.321 14.207 -4.981 877 HB1 ALA 109 3HB ALA 109 -18.975 13.989 -6.411 878 HB2 ALA 109 1HB ALA 109 -17.389 13.745 -7.149 879 HB3 ALA 109 2HB ALA 109 -17.837 15.331 -6.517 880 H ARG 110 H ARG 110 -16.632 15.902 -3.635 881 HA ARG 110 HA ARG 110 -18.385 15.676 -1.442 882 HB2 ARG 110 2HB ARG 110 -16.724 17.960 -2.489 883 HB3 ARG 110 1HB ARG 110 -17.751 18.145 -1.074 884 HG2 ARG 110 2HG ARG 110 -16.525 16.291 0.016 885 HG3 ARG 110 1HG ARG 110 -15.452 16.214 -1.384 886 HD2 ARG 110 2HD ARG 110 -14.550 17.530 0.552 887 HD3 ARG 110 1HD ARG 110 -14.630 18.425 -0.968 888 HE ARG 110 HE ARG 110 -16.974 19.037 0.235 889 HH11 ARG 110 1HH1 ARG 110 -13.693 19.222 1.265 890 HH12 ARG 110 2HH1 ARG 110 -13.996 20.544 2.333 891 HH21 ARG 110 1HH2 ARG 110 -17.343 20.762 1.553 892 HH22 ARG 110 2HH2 ARG 110 -16.040 21.431 2.475 893 HA PRO 111 HA PRO 111 -22.178 17.221 -3.284 894 HB2 PRO 111 2HB PRO 111 -23.504 17.624 -0.902 895 HB3 PRO 111 1HB PRO 111 -23.376 16.060 -1.713 896 HG2 PRO 111 2HG PRO 111 -21.763 17.153 0.562 897 HG3 PRO 111 1HG PRO 111 -22.415 15.519 0.335 898 HD2 PRO 111 2HD PRO 111 -19.826 16.089 -0.127 899 HD3 PRO 111 1HD PRO 111 -20.706 14.906 -1.116 900 H ASN 112 H ASN 112 -20.279 18.852 -0.861 901 HA ASN 112 HA ASN 112 -20.878 21.431 -2.046 902 HB2 ASN 112 2HB ASN 112 -22.642 21.127 -0.316 903 HB3 ASN 112 1HB ASN 112 -21.388 20.945 0.905 904 HD21 ASN 112 1HD2 ASN 112 -22.175 22.722 2.034 905 HD22 ASN 112 2HD2 ASN 112 -21.929 24.339 1.478 906 H GLN 113 H GLN 113 -18.973 22.424 -2.284 907 HA GLN 113 HA GLN 113 -16.624 21.501 -0.871 908 HB2 GLN 113 2HB GLN 113 -16.975 23.681 -2.942 909 HB3 GLN 113 1HB GLN 113 -15.424 23.144 -2.312 910 HG2 GLN 113 2HG GLN 113 -17.366 21.337 -3.743 911 HG3 GLN 113 1HG GLN 113 -16.060 22.206 -4.545 912 HE21 GLN 113 1HE2 GLN 113 -15.126 20.249 -5.198 913 HE22 GLN 113 2HE2 GLN 113 -14.259 19.244 -4.096 914 H THR 114 H THR 114 -18.773 24.259 -0.698 915 HA THR 114 HA THR 114 -17.043 25.659 1.197 916 HB THR 114 HB THR 114 -18.807 27.382 1.284 917 HG1 THR 114 HG1 THR 114 -20.615 25.973 0.925 918 HG21 THR 114 3HG2 THR 114 -17.107 27.550 -0.469 919 HG22 THR 114 1HG2 THR 114 -18.658 28.155 -1.046 920 HG23 THR 114 2HG2 THR 114 -18.097 26.558 -1.541 921 H LEU 115 H LEU 115 -17.106 23.754 2.653 922 HA LEU 115 HA LEU 115 -17.754 22.637 4.514 923 HB2 LEU 115 2HB LEU 115 -19.577 25.014 4.909 924 HB3 LEU 115 1HB LEU 115 -19.232 23.799 6.126 925 HG LEU 115 HG LEU 115 -17.231 25.721 4.922 926 HD11 LEU 115 1HD1 LEU 115 -18.769 26.789 6.480 927 HD12 LEU 115 2HD1 LEU 115 -17.148 26.683 7.165 928 HD13 LEU 115 3HD1 LEU 115 -18.403 25.564 7.697 929 HD21 LEU 115 3HD2 LEU 115 -16.177 23.582 5.412 930 HD22 LEU 115 1HD2 LEU 115 -16.854 23.601 7.042 931 HD23 LEU 115 2HD2 LEU 115 -15.656 24.805 6.567 932 HA PRO 116 HA PRO 116 -20.768 20.096 2.369 933 HB2 PRO 116 2HB PRO 116 -20.657 18.721 5.037 934 HB3 PRO 116 1HB PRO 116 -20.618 18.025 3.411 935 HG2 PRO 116 2HG PRO 116 -18.369 18.286 4.792 936 HG3 PRO 116 1HG PRO 116 -18.399 18.653 3.058 937 HD2 PRO 116 2HD PRO 116 -18.295 20.518 5.384 938 HD3 PRO 116 1HD PRO 116 -17.583 20.687 3.767 Start of MODEL 14 1 H1 MET 1 1H MET 1 28.293 -37.608 8.911 2 H2 MET 1 2H MET 1 27.601 -36.737 10.184 3 H3 MET 1 3H MET 1 26.763 -36.908 8.726 4 HA MET 1 HA MET 1 26.527 -39.258 9.059 5 HB2 MET 1 2HB MET 1 28.675 -39.545 10.274 6 HB3 MET 1 1HB MET 1 27.968 -38.768 11.682 7 HG2 MET 1 2HG MET 1 26.356 -40.585 11.891 8 HG3 MET 1 1HG MET 1 27.030 -41.358 10.455 9 HE1 MET 1 3HE MET 1 27.319 -43.598 11.799 10 HE2 MET 1 1HE MET 1 26.680 -42.856 13.266 11 HE3 MET 1 2HE MET 1 28.206 -43.740 13.317 12 H GLY 2 H GLY 2 24.526 -39.863 9.819 13 HA2 GLY 2 2HA GLY 2 22.838 -39.907 11.530 14 HA3 GLY 2 1HA GLY 2 23.347 -38.307 12.037 15 H HIS 3 H HIS 3 20.683 -39.323 11.336 16 HA HIS 3 HA HIS 3 19.852 -38.518 8.780 17 HB2 HIS 3 2HB HIS 3 17.558 -38.577 9.707 18 HB3 HIS 3 1HB HIS 3 18.497 -40.001 10.136 19 HD1 HIS 3 HD1 HIS 3 18.633 -40.561 12.575 20 HD2 HIS 3 HD2 HIS 3 17.260 -36.696 11.919 21 HE1 HIS 3 HE1 HIS 3 17.916 -39.710 14.823 22 HE2 HIS 3 HE2 HIS 3 16.908 -37.456 14.360 23 H HIS 4 H HIS 4 20.773 -36.551 11.400 24 HA HIS 4 HA HIS 4 19.010 -34.355 10.994 25 HB2 HIS 4 2HB HIS 4 20.332 -34.804 13.080 26 HB3 HIS 4 1HB HIS 4 21.774 -34.277 12.221 27 HD1 HIS 4 HD1 HIS 4 18.360 -32.878 13.170 28 HD2 HIS 4 HD2 HIS 4 22.253 -31.608 12.455 29 HE1 HIS 4 HE1 HIS 4 18.375 -30.426 13.700 30 HE2 HIS 4 HE2 HIS 4 20.701 -29.658 13.136 31 H HIS 5 H HIS 5 21.209 -35.521 8.855 32 HA HIS 5 HA HIS 5 22.609 -33.339 7.871 33 HB2 HIS 5 2HB HIS 5 22.555 -34.517 5.655 34 HB3 HIS 5 1HB HIS 5 23.086 -35.515 7.001 35 HD1 HIS 5 HD1 HIS 5 20.159 -35.031 4.673 36 HD2 HIS 5 HD2 HIS 5 21.549 -37.779 7.460 37 HE1 HIS 5 HE1 HIS 5 18.694 -37.047 4.415 38 HE2 HIS 5 HE2 HIS 5 19.461 -38.640 6.201 39 H HIS 6 H HIS 6 21.550 -31.419 7.843 40 HA HIS 6 HA HIS 6 19.641 -31.018 5.641 41 HB2 HIS 6 2HB HIS 6 19.294 -30.008 8.478 42 HB3 HIS 6 1HB HIS 6 18.436 -29.317 7.108 43 HD1 HIS 6 HD1 HIS 6 16.404 -30.539 6.257 44 HD2 HIS 6 HD2 HIS 6 18.473 -32.680 9.156 45 HE1 HIS 6 HE1 HIS 6 14.927 -32.476 6.846 46 HE2 HIS 6 HE2 HIS 6 16.254 -33.829 8.494 47 H HIS 7 H HIS 7 19.873 -29.053 4.557 48 HA HIS 7 HA HIS 7 22.359 -27.690 4.802 49 HB2 HIS 7 2HB HIS 7 21.088 -27.900 2.667 50 HB3 HIS 7 1HB HIS 7 19.870 -26.804 3.309 51 HD1 HIS 7 HD1 HIS 7 23.565 -26.804 2.424 52 HD2 HIS 7 HD2 HIS 7 20.391 -24.153 2.847 53 HE1 HIS 7 HE1 HIS 7 24.426 -24.588 1.625 54 HE2 HIS 7 HE2 HIS 7 22.566 -22.972 2.094 55 H HIS 8 H HIS 8 22.323 -27.101 7.048 56 HA HIS 8 HA HIS 8 20.498 -24.886 7.741 57 HB2 HIS 8 2HB HIS 8 20.148 -26.921 9.068 58 HB3 HIS 8 1HB HIS 8 21.837 -26.903 9.559 59 HD1 HIS 8 HD1 HIS 8 22.206 -25.912 11.800 60 HD2 HIS 8 HD2 HIS 8 18.806 -24.368 9.974 61 HE1 HIS 8 HE1 HIS 8 21.205 -24.335 13.472 62 HE2 HIS 8 HE2 HIS 8 19.067 -23.543 12.412 63 H SER 9 H SER 9 21.338 -22.955 8.204 64 HA SER 9 HA SER 9 24.185 -22.765 8.980 65 HB2 SER 9 2HB SER 9 24.328 -20.633 7.783 66 HB3 SER 9 1HB SER 9 23.794 -21.899 6.677 67 HG SER 9 HG SER 9 22.335 -20.384 6.285 68 H HIS 10 H HIS 10 24.432 -20.253 9.813 69 HA HIS 10 HA HIS 10 22.757 -20.118 12.181 70 HB2 HIS 10 2HB HIS 10 25.241 -19.745 12.207 71 HB3 HIS 10 1HB HIS 10 24.981 -18.248 11.320 72 HD1 HIS 10 HD1 HIS 10 24.778 -19.747 14.697 73 HD2 HIS 10 HD2 HIS 10 23.776 -16.160 12.854 74 HE1 HIS 10 HE1 HIS 10 24.336 -18.135 16.566 75 HE2 HIS 10 HE2 HIS 10 23.890 -15.936 15.430 76 H GLU 11 H GLU 11 22.715 -18.738 9.062 77 HA GLU 11 HA GLU 11 21.297 -16.319 9.939 78 HB2 GLU 11 2HB GLU 11 22.402 -17.012 7.204 79 HB3 GLU 11 1HB GLU 11 21.729 -15.457 7.690 80 HG2 GLU 11 2HG GLU 11 23.537 -15.275 9.396 81 HG3 GLU 11 1HG GLU 11 24.244 -16.751 8.742 82 H HIS 12 H HIS 12 19.217 -15.824 9.253 83 HA HIS 12 HA HIS 12 17.682 -18.187 8.370 84 HB2 HIS 12 2HB HIS 12 16.766 -15.826 10.036 85 HB3 HIS 12 1HB HIS 12 15.797 -17.240 9.628 86 HD1 HIS 12 HD1 HIS 12 15.932 -19.181 11.197 87 HD2 HIS 12 HD2 HIS 12 19.022 -16.465 11.791 88 HE1 HIS 12 HE1 HIS 12 17.147 -19.984 13.237 89 HE2 HIS 12 HE2 HIS 12 19.084 -18.401 13.507 90 H LYS 13 H LYS 13 17.022 -18.073 6.306 91 HA LYS 13 HA LYS 13 16.161 -15.479 5.194 92 HB2 LYS 13 2HB LYS 13 16.889 -18.079 3.823 93 HB3 LYS 13 1HB LYS 13 16.248 -16.672 2.981 94 HG2 LYS 13 2HG LYS 13 18.192 -15.359 3.676 95 HG3 LYS 13 1HG LYS 13 18.829 -16.751 4.548 96 HD2 LYS 13 2HD LYS 13 19.948 -16.546 2.406 97 HD3 LYS 13 1HD LYS 13 18.949 -17.999 2.414 98 HE2 LYS 13 2HE LYS 13 17.217 -16.841 1.149 99 HE3 LYS 13 1HE LYS 13 18.160 -15.351 1.186 100 HZ1 LYS 13 3HZ LYS 13 18.457 -16.430 -0.917 101 HZ2 LYS 13 1HZ LYS 13 18.906 -17.883 -0.173 102 HZ3 LYS 13 2HZ LYS 13 19.911 -16.530 -0.057 103 H ARG 14 H ARG 14 14.058 -15.065 4.925 104 HA ARG 14 HA ARG 14 12.118 -17.282 4.795 105 HB2 ARG 14 2HB ARG 14 12.285 -16.488 7.141 106 HB3 ARG 14 1HB ARG 14 11.882 -14.864 6.609 107 HG2 ARG 14 2HG ARG 14 9.925 -15.847 7.550 108 HG3 ARG 14 1HG ARG 14 9.689 -15.732 5.806 109 HD2 ARG 14 2HD ARG 14 10.243 -18.092 5.555 110 HD3 ARG 14 1HD ARG 14 10.563 -18.219 7.286 111 HE ARG 14 HE ARG 14 7.893 -17.499 6.267 112 HH11 ARG 14 1HH1 ARG 14 9.933 -19.523 8.174 113 HH12 ARG 14 2HH1 ARG 14 8.611 -20.354 8.908 114 HH21 ARG 14 1HH2 ARG 14 6.213 -18.566 7.214 115 HH22 ARG 14 2HH2 ARG 14 6.522 -19.822 8.359 116 H ALA 15 H ALA 15 10.875 -17.017 3.027 117 HA ALA 15 HA ALA 15 10.752 -14.602 1.535 118 HB1 ALA 15 3HB ALA 15 8.967 -17.032 1.346 119 HB2 ALA 15 1HB ALA 15 10.499 -16.812 0.498 120 HB3 ALA 15 2HB ALA 15 9.130 -15.763 0.133 121 HA PRO 16 HA PRO 16 7.647 -12.324 3.693 122 HB2 PRO 16 2HB PRO 16 6.552 -10.900 1.612 123 HB3 PRO 16 1HB PRO 16 8.096 -10.512 2.378 124 HG2 PRO 16 2HG PRO 16 7.566 -12.026 -0.153 125 HG3 PRO 16 1HG PRO 16 8.798 -10.793 0.179 126 HD2 PRO 16 2HD PRO 16 9.398 -13.416 0.162 127 HD3 PRO 16 1HD PRO 16 10.179 -12.289 1.292 128 H MET 17 H MET 17 5.626 -12.644 4.372 129 HA MET 17 HA MET 17 3.685 -14.010 2.616 130 HB2 MET 17 2HB MET 17 4.480 -15.717 4.059 131 HB3 MET 17 1HB MET 17 4.471 -14.655 5.458 132 HG2 MET 17 2HG MET 17 2.683 -16.303 5.553 133 HG3 MET 17 1HG MET 17 2.051 -14.660 5.487 134 HE1 MET 17 3HE MET 17 -0.635 -16.810 3.585 135 HE2 MET 17 1HE MET 17 -0.354 -15.684 4.914 136 HE3 MET 17 2HE MET 17 0.335 -17.306 4.971 137 H PHE 18 H PHE 18 1.877 -12.809 2.375 138 HA PHE 18 HA PHE 18 1.228 -10.633 4.129 139 HB2 PHE 18 2HB PHE 18 -0.143 -11.885 1.758 140 HB3 PHE 18 1HB PHE 18 -0.995 -10.714 2.755 141 HD1 PHE 18 HD1 PHE 18 -0.327 -8.381 2.793 142 HD2 PHE 18 HD2 PHE 18 1.691 -11.203 0.318 143 HE1 PHE 18 HE1 PHE 18 0.676 -6.535 1.510 144 HE2 PHE 18 HE2 PHE 18 2.696 -9.360 -0.966 145 HZ PHE 18 HZ PHE 18 2.190 -7.023 -0.372 146 H ILE 19 H ILE 19 0.625 -11.117 6.161 147 HA ILE 19 HA ILE 19 -1.040 -13.349 6.860 148 HB ILE 19 HB ILE 19 -0.496 -10.885 8.542 149 HG12 ILE 19 2HG1 ILE 19 1.142 -13.437 8.371 150 HG13 ILE 19 1HG1 ILE 19 1.625 -11.876 7.712 151 HG21 ILE 19 1HG2 ILE 19 -1.246 -13.722 9.276 152 HG22 ILE 19 2HG2 ILE 19 -2.272 -12.294 9.411 153 HG23 ILE 19 3HG2 ILE 19 -0.840 -12.450 10.430 154 HD11 ILE 19 3HD1 ILE 19 1.619 -10.937 9.982 155 HD12 ILE 19 1HD1 ILE 19 2.740 -12.289 9.813 156 HD13 ILE 19 2HD1 ILE 19 1.190 -12.525 10.624 157 H TYR 20 H TYR 20 -1.531 -9.922 6.270 158 HA TYR 20 HA TYR 20 -4.443 -10.371 6.108 159 HB2 TYR 20 2HB TYR 20 -3.051 -7.981 7.353 160 HB3 TYR 20 1HB TYR 20 -4.764 -8.024 6.959 161 HD1 TYR 20 HD1 TYR 20 -6.307 -9.398 8.267 162 HD2 TYR 20 HD2 TYR 20 -2.180 -9.176 9.260 163 HE1 TYR 20 HE1 TYR 20 -6.796 -10.345 10.479 164 HE2 TYR 20 HE2 TYR 20 -2.654 -10.125 11.479 165 HH TYR 20 HH TYR 20 -5.671 -11.547 12.256 166 H LYS 21 H LYS 21 -5.505 -9.207 4.496 167 HA LYS 21 HA LYS 21 -3.801 -7.849 2.529 168 HB2 LYS 21 2HB LYS 21 -5.748 -8.035 1.017 169 HB3 LYS 21 1HB LYS 21 -5.229 -9.598 1.630 170 HG2 LYS 21 2HG LYS 21 -7.063 -9.576 3.251 171 HG3 LYS 21 1HG LYS 21 -7.580 -8.000 2.649 172 HD2 LYS 21 2HD LYS 21 -7.487 -10.566 1.048 173 HD3 LYS 21 1HD LYS 21 -8.943 -9.807 1.697 174 HE2 LYS 21 2HE LYS 21 -8.590 -7.861 0.285 175 HE3 LYS 21 1HE LYS 21 -7.066 -8.529 -0.298 176 HZ1 LYS 21 3HZ LYS 21 -9.785 -9.605 -0.789 177 HZ2 LYS 21 1HZ LYS 21 -8.356 -10.409 -1.216 178 HZ3 LYS 21 2HZ LYS 21 -8.735 -8.920 -1.922 179 HA PRO 22 HA PRO 22 -5.497 -3.905 3.748 180 HB2 PRO 22 2HB PRO 22 -4.915 -2.667 1.232 181 HB3 PRO 22 1HB PRO 22 -3.976 -2.589 2.722 182 HG2 PRO 22 2HG PRO 22 -3.204 -3.870 0.375 183 HG3 PRO 22 1HG PRO 22 -2.477 -4.117 1.970 184 HD2 PRO 22 2HD PRO 22 -4.423 -5.810 0.482 185 HD3 PRO 22 1HD PRO 22 -3.169 -6.285 1.647 186 H GLN 23 H GLN 23 -7.570 -3.304 3.816 187 HA GLN 23 HA GLN 23 -9.351 -4.208 1.698 188 HB2 GLN 23 2HB GLN 23 -9.939 -3.122 4.462 189 HB3 GLN 23 1HB GLN 23 -11.160 -3.701 3.338 190 HG2 GLN 23 2HG GLN 23 -8.917 -5.370 4.467 191 HG3 GLN 23 1HG GLN 23 -10.573 -5.351 5.071 192 HE21 GLN 23 1HE2 GLN 23 -12.203 -6.289 3.818 193 HE22 GLN 23 2HE2 GLN 23 -11.849 -7.377 2.525 194 H SER 24 H SER 24 -10.867 -2.913 0.655 195 HA SER 24 HA SER 24 -9.973 -0.291 -0.017 196 HB2 SER 24 2HB SER 24 -11.912 -0.209 -1.519 197 HB3 SER 24 1HB SER 24 -11.088 -1.759 -1.659 198 HG SER 24 HG SER 24 -12.725 -2.505 -0.070 199 H LYS 25 H LYS 25 -10.588 1.663 0.675 200 HA LYS 25 HA LYS 25 -13.071 1.941 2.258 201 HB2 LYS 25 2HB LYS 25 -10.479 3.485 2.560 202 HB3 LYS 25 1HB LYS 25 -11.986 3.951 3.328 203 HG2 LYS 25 2HG LYS 25 -10.798 2.863 5.005 204 HG3 LYS 25 1HG LYS 25 -11.937 1.644 4.436 205 HD2 LYS 25 2HD LYS 25 -10.199 0.580 3.124 206 HD3 LYS 25 1HD LYS 25 -9.054 1.853 3.546 207 HE2 LYS 25 2HE LYS 25 -10.360 -0.010 5.533 208 HE3 LYS 25 1HE LYS 25 -8.748 -0.244 4.856 209 HZ1 LYS 25 3HZ LYS 25 -8.054 1.834 5.852 210 HZ2 LYS 25 1HZ LYS 25 -8.688 0.814 7.039 211 HZ3 LYS 25 2HZ LYS 25 -9.606 2.110 6.461 212 H LYS 26 H LYS 26 -14.072 4.159 2.057 213 HA LYS 26 HA LYS 26 -13.330 5.515 -0.453 214 HB2 LYS 26 2HB LYS 26 -15.659 5.849 -1.058 215 HB3 LYS 26 1HB LYS 26 -15.310 4.134 -0.904 216 HG2 LYS 26 2HG LYS 26 -16.402 4.084 1.274 217 HG3 LYS 26 1HG LYS 26 -16.710 5.820 1.174 218 HD2 LYS 26 2HD LYS 26 -17.800 3.708 -0.701 219 HD3 LYS 26 1HD LYS 26 -18.705 4.524 0.574 220 HE2 LYS 26 2HE LYS 26 -17.455 5.876 -1.827 221 HE3 LYS 26 1HE LYS 26 -19.163 5.480 -1.651 222 HZ1 LYS 26 3HZ LYS 26 -19.317 6.982 0.203 223 HZ2 LYS 26 1HZ LYS 26 -18.663 7.806 -1.122 224 HZ3 LYS 26 2HZ LYS 26 -17.661 7.309 0.146 225 H VAL 27 H VAL 27 -13.191 7.665 -0.362 226 HA VAL 27 HA VAL 27 -14.296 9.097 1.983 227 HB VAL 27 HB VAL 27 -12.255 10.473 2.126 228 HG11 VAL 27 1HG1 VAL 27 -10.784 8.794 3.151 229 HG12 VAL 27 2HG1 VAL 27 -11.715 7.509 2.380 230 HG13 VAL 27 3HG1 VAL 27 -12.472 8.537 3.595 231 HG21 VAL 27 3HG2 VAL 27 -10.207 9.794 0.945 232 HG22 VAL 27 1HG2 VAL 27 -11.484 10.259 -0.180 233 HG23 VAL 27 2HG2 VAL 27 -11.119 8.553 0.082 234 H LEU 28 H LEU 28 -13.962 11.618 1.568 235 HA LEU 28 HA LEU 28 -15.143 12.181 -1.048 236 HB2 LEU 28 2HB LEU 28 -14.793 13.905 1.409 237 HB3 LEU 28 1HB LEU 28 -15.524 14.465 -0.083 238 HG LEU 28 HG LEU 28 -16.615 12.219 1.633 239 HD11 LEU 28 1HD1 LEU 28 -17.574 15.068 1.337 240 HD12 LEU 28 2HD1 LEU 28 -16.783 14.387 2.759 241 HD13 LEU 28 3HD1 LEU 28 -18.367 13.793 2.264 242 HD21 LEU 28 3HD2 LEU 28 -17.174 11.980 -0.736 243 HD22 LEU 28 1HD2 LEU 28 -17.789 13.632 -0.766 244 HD23 LEU 28 2HD2 LEU 28 -18.598 12.407 0.211 245 H GLU 29 H GLU 29 -14.416 14.278 -2.148 246 HA GLU 29 HA GLU 29 -11.625 13.963 -2.728 247 HB2 GLU 29 2HB GLU 29 -13.617 16.004 -3.739 248 HB3 GLU 29 1HB GLU 29 -11.976 15.829 -4.347 249 HG2 GLU 29 2HG GLU 29 -12.560 13.446 -4.924 250 HG3 GLU 29 1HG GLU 29 -14.232 13.847 -4.546 251 H GLY 30 H GLY 30 -10.109 14.690 -1.407 252 HA2 GLY 30 2HA GLY 30 -8.916 16.714 -0.659 253 HA3 GLY 30 1HA GLY 30 -10.470 17.348 -0.146 254 H ASP 31 H ASP 31 -10.435 14.099 0.596 255 HA ASP 31 HA ASP 31 -9.564 14.665 3.356 256 HB2 ASP 31 2HB ASP 31 -11.497 12.611 2.268 257 HB3 ASP 31 1HB ASP 31 -10.961 12.658 3.948 258 H SER 32 H SER 32 -9.222 12.142 4.350 259 HA SER 32 HA SER 32 -6.907 11.115 2.833 260 HB2 SER 32 2HB SER 32 -5.706 10.822 4.973 261 HB3 SER 32 1HB SER 32 -6.109 12.513 4.681 262 HG SER 32 HG SER 32 -7.301 12.511 6.410 263 H VAL 33 H VAL 33 -6.248 8.938 3.344 264 HA VAL 33 HA VAL 33 -8.166 7.228 4.742 265 HB VAL 33 HB VAL 33 -8.894 7.285 2.354 266 HG11 VAL 33 1HG1 VAL 33 -6.727 7.641 1.298 267 HG12 VAL 33 2HG1 VAL 33 -7.501 6.198 0.644 268 HG13 VAL 33 3HG1 VAL 33 -6.191 6.040 1.816 269 HG21 VAL 33 3HG2 VAL 33 -9.036 4.846 2.051 270 HG22 VAL 33 1HG2 VAL 33 -9.374 5.320 3.717 271 HG23 VAL 33 2HG2 VAL 33 -7.807 4.625 3.297 272 H LYS 34 H LYS 34 -7.276 5.124 5.300 273 HA LYS 34 HA LYS 34 -4.355 4.902 4.942 274 HB2 LYS 34 2HB LYS 34 -4.137 4.028 7.208 275 HB3 LYS 34 1HB LYS 34 -4.856 5.632 7.234 276 HG2 LYS 34 2HG LYS 34 -7.088 4.586 7.518 277 HG3 LYS 34 1HG LYS 34 -6.301 3.009 7.597 278 HD2 LYS 34 2HD LYS 34 -5.886 5.317 9.504 279 HD3 LYS 34 1HD LYS 34 -6.783 3.835 9.836 280 HE2 LYS 34 2HE LYS 34 -4.728 2.526 9.581 281 HE3 LYS 34 1HE LYS 34 -3.825 3.997 9.213 282 HZ1 LYS 34 3HZ LYS 34 -5.211 3.408 11.772 283 HZ2 LYS 34 1HZ LYS 34 -4.349 4.822 11.424 284 HZ3 LYS 34 2HZ LYS 34 -3.543 3.336 11.516 285 H LEU 35 H LEU 35 -3.651 3.042 4.142 286 HA LEU 35 HA LEU 35 -5.439 0.676 4.141 287 HB2 LEU 35 2HB LEU 35 -3.285 1.448 2.155 288 HB3 LEU 35 1HB LEU 35 -4.261 -0.008 2.075 289 HG LEU 35 HG LEU 35 -5.319 2.819 1.836 290 HD11 LEU 35 1HD1 LEU 35 -5.682 2.280 -0.521 291 HD12 LEU 35 2HD1 LEU 35 -4.907 0.712 -0.292 292 HD13 LEU 35 3HD1 LEU 35 -3.972 2.195 -0.100 293 HD21 LEU 35 3HD2 LEU 35 -6.727 0.171 1.462 294 HD22 LEU 35 1HD2 LEU 35 -7.423 1.769 1.181 295 HD23 LEU 35 2HD2 LEU 35 -6.956 1.283 2.810 296 H GLU 36 H GLU 36 -4.727 -0.891 5.518 297 HA GLU 36 HA GLU 36 -1.825 -1.040 6.073 298 HB2 GLU 36 2HB GLU 36 -2.390 -1.534 8.433 299 HB3 GLU 36 1HB GLU 36 -2.900 0.069 7.925 300 HG2 GLU 36 2HG GLU 36 -5.196 -0.761 7.635 301 HG3 GLU 36 1HG GLU 36 -4.678 -2.353 8.184 302 H CYS 37 H CYS 37 -0.906 -3.034 6.446 303 HA CYS 37 HA CYS 37 -2.516 -5.437 6.683 304 HB2 CYS 37 2HB CYS 37 -1.442 -6.545 4.721 305 HB3 CYS 37 1HB CYS 37 -2.506 -5.217 4.276 306 HG CYS 37 HG CYS 37 -0.160 -3.443 4.138 307 H GLN 38 H GLN 38 -1.178 -7.377 7.101 308 HA GLN 38 HA GLN 38 1.403 -6.665 8.349 309 HB2 GLN 38 2HB GLN 38 -0.432 -9.000 8.936 310 HB3 GLN 38 1HB GLN 38 1.102 -8.694 9.736 311 HG2 GLN 38 2HG GLN 38 -1.283 -6.849 9.824 312 HG3 GLN 38 1HG GLN 38 -0.864 -8.025 11.067 313 HE21 GLN 38 1HE2 GLN 38 2.006 -7.543 10.844 314 HE22 GLN 38 2HE2 GLN 38 2.284 -6.011 11.584 315 H ILE 39 H ILE 39 3.241 -7.500 7.537 316 HA ILE 39 HA ILE 39 3.084 -9.889 5.799 317 HB ILE 39 HB ILE 39 5.012 -7.562 5.544 318 HG12 ILE 39 2HG1 ILE 39 2.718 -8.440 3.757 319 HG13 ILE 39 1HG1 ILE 39 2.751 -6.994 4.760 320 HG21 ILE 39 1HG2 ILE 39 4.734 -10.057 3.855 321 HG22 ILE 39 2HG2 ILE 39 6.072 -9.677 4.940 322 HG23 ILE 39 3HG2 ILE 39 5.799 -8.693 3.502 323 HD11 ILE 39 3HD1 ILE 39 4.521 -7.563 2.394 324 HD12 ILE 39 1HD1 ILE 39 4.618 -6.131 3.419 325 HD13 ILE 39 2HD1 ILE 39 3.171 -6.430 2.456 326 H SER 40 H SER 40 4.383 -11.576 6.324 327 HA SER 40 HA SER 40 6.400 -11.205 8.449 328 HB2 SER 40 2HB SER 40 4.797 -12.900 9.031 329 HB3 SER 40 1HB SER 40 4.954 -13.678 7.456 330 HG SER 40 HG SER 40 6.659 -13.753 9.675 331 H ALA 41 H ALA 41 8.265 -10.615 7.433 332 HA ALA 41 HA ALA 41 9.450 -12.591 5.594 333 HB1 ALA 41 3HB ALA 41 10.437 -10.825 4.245 334 HB2 ALA 41 1HB ALA 41 9.673 -9.600 5.258 335 HB3 ALA 41 2HB ALA 41 8.680 -10.667 4.269 336 H ILE 42 H ILE 42 11.693 -12.895 5.800 337 HA ILE 42 HA ILE 42 13.164 -11.218 7.716 338 HB ILE 42 HB ILE 42 13.169 -14.249 7.852 339 HG12 ILE 42 2HG1 ILE 42 12.203 -12.213 9.887 340 HG13 ILE 42 1HG1 ILE 42 11.163 -13.227 8.891 341 HG21 ILE 42 1HG2 ILE 42 14.705 -13.961 9.758 342 HG22 ILE 42 2HG2 ILE 42 14.734 -12.223 9.462 343 HG23 ILE 42 3HG2 ILE 42 15.392 -13.334 8.261 344 HD11 ILE 42 3HD1 ILE 42 13.104 -14.204 10.974 345 HD12 ILE 42 1HD1 ILE 42 12.057 -15.218 9.981 346 HD13 ILE 42 2HD1 ILE 42 11.353 -14.098 11.147 347 HA PRO 43 HA PRO 43 14.649 -9.937 7.597 348 HB2 PRO 43 2HB PRO 43 16.011 -8.409 5.502 349 HB3 PRO 43 1HB PRO 43 16.533 -8.737 7.155 350 HG2 PRO 43 2HG PRO 43 17.755 -9.818 4.990 351 HG3 PRO 43 1HG PRO 43 17.674 -10.644 6.559 352 HD2 PRO 43 2HD PRO 43 15.998 -11.065 4.103 353 HD3 PRO 43 1HD PRO 43 16.720 -12.266 5.194 354 HA PRO 44 HA PRO 44 11.242 -7.541 5.909 355 HB2 PRO 44 2HB PRO 44 12.984 -5.103 5.991 356 HB3 PRO 44 1HB PRO 44 11.344 -5.336 6.612 357 HG2 PRO 44 2HG PRO 44 13.399 -5.329 8.285 358 HG3 PRO 44 1HG PRO 44 12.081 -6.500 8.493 359 HD2 PRO 44 2HD PRO 44 14.830 -6.918 7.382 360 HD3 PRO 44 1HD PRO 44 13.851 -7.993 8.400 361 HA PRO 45 HA PRO 45 12.331 -7.183 1.573 362 HB2 PRO 45 2HB PRO 45 9.878 -7.352 0.561 363 HB3 PRO 45 1HB PRO 45 10.554 -8.698 1.485 364 HG2 PRO 45 2HG PRO 45 8.548 -6.644 2.322 365 HG3 PRO 45 1HG PRO 45 8.622 -8.369 2.722 366 HD2 PRO 45 2HD PRO 45 9.545 -6.235 4.327 367 HD3 PRO 45 1HD PRO 45 9.885 -7.959 4.570 368 H LYS 46 H LYS 46 11.821 -5.858 -0.361 369 HA LYS 46 HA LYS 46 11.356 -3.051 0.267 370 HB2 LYS 46 2HB LYS 46 13.190 -3.721 -1.271 371 HB3 LYS 46 1HB LYS 46 11.999 -4.392 -2.377 372 HG2 LYS 46 2HG LYS 46 12.656 -2.273 -3.223 373 HG3 LYS 46 1HG LYS 46 11.017 -2.108 -2.595 374 HD2 LYS 46 2HD LYS 46 11.876 -1.077 -0.559 375 HD3 LYS 46 1HD LYS 46 13.533 -1.301 -1.122 376 HE2 LYS 46 2HE LYS 46 12.980 0.140 -3.091 377 HE3 LYS 46 1HE LYS 46 11.410 0.459 -2.355 378 HZ1 LYS 46 3HZ LYS 46 14.068 1.169 -1.235 379 HZ2 LYS 46 1HZ LYS 46 12.601 1.381 -0.422 380 HZ3 LYS 46 2HZ LYS 46 12.911 2.236 -1.847 381 H LEU 47 H LEU 47 9.588 -1.854 -0.425 382 HA LEU 47 HA LEU 47 7.262 -3.440 -1.292 383 HB2 LEU 47 2HB LEU 47 7.358 -0.748 0.081 384 HB3 LEU 47 1HB LEU 47 5.906 -1.654 -0.299 385 HG LEU 47 HG LEU 47 8.056 -2.562 1.625 386 HD11 LEU 47 1HD1 LEU 47 5.323 -1.395 2.156 387 HD12 LEU 47 2HD1 LEU 47 6.878 -0.638 2.507 388 HD13 LEU 47 3HD1 LEU 47 6.391 -2.094 3.372 389 HD21 LEU 47 3HD2 LEU 47 6.928 -4.445 0.593 390 HD22 LEU 47 1HD2 LEU 47 5.352 -3.743 0.968 391 HD23 LEU 47 2HD2 LEU 47 6.413 -4.281 2.271 392 H PHE 48 H PHE 48 6.211 -3.016 -3.148 393 HA PHE 48 HA PHE 48 6.710 -0.451 -4.534 394 HB2 PHE 48 2HB PHE 48 6.490 -3.191 -5.816 395 HB3 PHE 48 1HB PHE 48 6.554 -1.671 -6.700 396 HD1 PHE 48 HD1 PHE 48 8.626 -0.299 -6.655 397 HD2 PHE 48 HD2 PHE 48 8.464 -4.208 -4.958 398 HE1 PHE 48 HE1 PHE 48 11.086 -0.405 -6.659 399 HE2 PHE 48 HE2 PHE 48 10.919 -4.312 -4.960 400 HZ PHE 48 HZ PHE 48 12.235 -2.412 -5.809 401 H TRP 49 H TRP 49 4.874 0.682 -4.672 402 HA TRP 49 HA TRP 49 2.299 -0.755 -4.839 403 HB2 TRP 49 2HB TRP 49 2.945 2.044 -3.890 404 HB3 TRP 49 1HB TRP 49 1.304 1.453 -4.122 405 HD1 TRP 49 HD1 TRP 49 4.407 0.786 -1.920 406 HE1 TRP 49 HE1 TRP 49 3.606 -0.241 0.299 407 HE3 TRP 49 HE3 TRP 49 -0.555 0.262 -3.016 408 HZ2 TRP 49 HZ2 TRP 49 1.184 -1.153 1.439 409 HZ3 TRP 49 HZ3 TRP 49 -2.047 -0.700 -1.313 410 HH2 TRP 49 HH2 TRP 49 -1.196 -1.392 0.870 411 H LYS 50 H LYS 50 1.240 -0.725 -6.713 412 HA LYS 50 HA LYS 50 1.697 1.518 -8.589 413 HB2 LYS 50 2HB LYS 50 2.786 -0.506 -9.416 414 HB3 LYS 50 1HB LYS 50 1.294 -1.417 -9.236 415 HG2 LYS 50 2HG LYS 50 0.241 -0.079 -10.972 416 HG3 LYS 50 1HG LYS 50 1.698 0.906 -11.116 417 HD2 LYS 50 2HD LYS 50 1.524 -2.063 -11.675 418 HD3 LYS 50 1HD LYS 50 1.548 -0.788 -12.896 419 HE2 LYS 50 2HE LYS 50 3.776 -0.088 -12.075 420 HE3 LYS 50 1HE LYS 50 3.749 -1.424 -10.924 421 HZ1 LYS 50 3HZ LYS 50 5.004 -2.035 -12.861 422 HZ2 LYS 50 1HZ LYS 50 3.717 -1.656 -13.887 423 HZ3 LYS 50 2HZ LYS 50 3.593 -2.957 -12.813 424 H ARG 51 H ARG 51 -0.102 2.575 -9.223 425 HA ARG 51 HA ARG 51 -2.731 1.472 -8.429 426 HB2 ARG 51 2HB ARG 51 -2.122 3.612 -7.379 427 HB3 ARG 51 1HB ARG 51 -1.858 4.330 -8.961 428 HG2 ARG 51 2HG ARG 51 -4.320 3.782 -9.423 429 HG3 ARG 51 1HG ARG 51 -4.453 3.509 -7.687 430 HD2 ARG 51 2HD ARG 51 -5.115 5.747 -8.049 431 HD3 ARG 51 1HD ARG 51 -3.484 5.830 -7.378 432 HE ARG 51 HE ARG 51 -3.584 5.844 -10.264 433 HH11 ARG 51 1HH1 ARG 51 -3.548 7.770 -7.407 434 HH12 ARG 51 2HH1 ARG 51 -3.176 9.227 -8.257 435 HH21 ARG 51 1HH2 ARG 51 -3.052 7.690 -11.345 436 HH22 ARG 51 2HH2 ARG 51 -2.853 9.170 -10.472 437 H ASN 52 H ASN 52 -3.761 0.551 -10.154 438 HA ASN 52 HA ASN 52 -4.711 0.306 -12.224 439 HB2 ASN 52 2HB ASN 52 -5.591 2.602 -11.369 440 HB3 ASN 52 1HB ASN 52 -4.497 3.301 -12.555 441 HD21 ASN 52 1HD2 ASN 52 -7.312 3.547 -12.501 442 HD22 ASN 52 2HD2 ASN 52 -7.921 2.838 -13.953 443 H ASN 53 H ASN 53 -1.959 -0.077 -12.178 444 HA ASN 53 HA ASN 53 -0.215 -0.463 -13.578 445 HB2 ASN 53 2HB ASN 53 -1.902 -0.750 -15.363 446 HB3 ASN 53 1HB ASN 53 -1.818 0.973 -15.709 447 HD21 ASN 53 1HD2 ASN 53 -1.127 0.658 -17.805 448 HD22 ASN 53 2HD2 ASN 53 0.454 0.080 -18.187 449 H GLU 54 H GLU 54 -1.049 2.444 -12.409 450 HA GLU 54 HA GLU 54 1.161 3.951 -13.611 451 HB2 GLU 54 2HB GLU 54 -0.827 4.861 -11.517 452 HB3 GLU 54 1HB GLU 54 0.288 5.880 -12.416 453 HG2 GLU 54 2HG GLU 54 -0.912 5.290 -14.499 454 HG3 GLU 54 1HG GLU 54 -2.064 4.365 -13.536 455 H MET 55 H MET 55 3.013 4.517 -12.496 456 HA MET 55 HA MET 55 3.649 3.056 -10.102 457 HB2 MET 55 2HB MET 55 5.300 3.517 -11.902 458 HB3 MET 55 1HB MET 55 5.224 5.226 -11.511 459 HG2 MET 55 2HG MET 55 7.138 4.590 -10.413 460 HG3 MET 55 1HG MET 55 5.944 4.437 -9.130 461 HE1 MET 55 3HE MET 55 5.656 0.641 -8.552 462 HE2 MET 55 1HE MET 55 4.510 1.642 -9.441 463 HE3 MET 55 2HE MET 55 5.274 2.266 -7.980 464 H VAL 56 H VAL 56 2.950 3.687 -8.133 465 HA VAL 56 HA VAL 56 1.917 6.266 -7.585 466 HB VAL 56 HB VAL 56 2.737 4.107 -5.623 467 HG11 VAL 56 1HG1 VAL 56 0.946 6.512 -5.227 468 HG12 VAL 56 2HG1 VAL 56 2.553 6.292 -4.536 469 HG13 VAL 56 3HG1 VAL 56 1.231 5.234 -4.044 470 HG21 VAL 56 3HG2 VAL 56 1.059 3.320 -7.210 471 HG22 VAL 56 1HG2 VAL 56 0.048 4.726 -6.866 472 HG23 VAL 56 2HG2 VAL 56 0.345 3.523 -5.610 473 H GLN 57 H GLN 57 2.985 8.084 -7.239 474 HA GLN 57 HA GLN 57 5.817 8.037 -6.547 475 HB2 GLN 57 2HB GLN 57 4.001 10.325 -7.353 476 HB3 GLN 57 1HB GLN 57 5.736 10.454 -7.093 477 HG2 GLN 57 2HG GLN 57 6.149 8.910 -8.933 478 HG3 GLN 57 1HG GLN 57 4.415 8.717 -9.178 479 HE21 GLN 57 1HE2 GLN 57 3.835 11.531 -8.735 480 HE22 GLN 57 2HE2 GLN 57 4.388 12.366 -10.141 481 H PHE 58 H PHE 58 6.440 8.153 -4.482 482 HA PHE 58 HA PHE 58 4.601 9.145 -2.429 483 HB2 PHE 58 2HB PHE 58 7.291 7.789 -2.103 484 HB3 PHE 58 1HB PHE 58 6.105 8.078 -0.834 485 HD1 PHE 58 HD1 PHE 58 3.900 6.860 -0.928 486 HD2 PHE 58 HD2 PHE 58 7.167 5.881 -3.486 487 HE1 PHE 58 HE1 PHE 58 2.878 4.671 -1.394 488 HE2 PHE 58 HE2 PHE 58 6.144 3.692 -3.955 489 HZ PHE 58 HZ PHE 58 3.999 3.084 -2.906 490 H ASN 59 H ASN 59 6.369 10.850 -4.317 491 HA ASN 59 HA ASN 59 8.017 12.290 -2.368 492 HB2 ASN 59 2HB ASN 59 8.849 13.518 -4.390 493 HB3 ASN 59 1HB ASN 59 9.110 11.777 -4.447 494 HD21 ASN 59 1HD2 ASN 59 7.297 14.439 -5.754 495 HD22 ASN 59 2HD2 ASN 59 6.690 13.594 -7.136 496 H THR 60 H THR 60 5.125 12.482 -2.160 497 HA THR 60 HA THR 60 4.828 15.393 -2.468 498 HB THR 60 HB THR 60 3.639 14.674 -4.388 499 HG1 THR 60 HG1 THR 60 2.107 15.986 -3.736 500 HG21 THR 60 3HG2 THR 60 1.918 12.919 -4.349 501 HG22 THR 60 1HG2 THR 60 2.273 12.610 -2.649 502 HG23 THR 60 2HG2 THR 60 3.495 12.283 -3.878 503 H ASP 61 H ASP 61 3.064 16.305 -1.191 504 HA ASP 61 HA ASP 61 2.925 15.210 1.438 505 HB2 ASP 61 2HB ASP 61 2.916 17.645 0.954 506 HB3 ASP 61 1HB ASP 61 1.333 17.477 0.205 507 H ARG 62 H ARG 62 0.921 15.000 -1.403 508 HA ARG 62 HA ARG 62 -1.472 14.167 -0.041 509 HB2 ARG 62 2HB ARG 62 -0.673 14.076 -2.953 510 HB3 ARG 62 1HB ARG 62 -2.233 13.521 -2.364 511 HG2 ARG 62 2HG ARG 62 -2.653 15.798 -1.462 512 HG3 ARG 62 1HG ARG 62 -1.143 16.330 -2.207 513 HD2 ARG 62 2HD ARG 62 -1.997 15.768 -4.412 514 HD3 ARG 62 1HD ARG 62 -3.474 15.114 -3.702 515 HE ARG 62 HE ARG 62 -3.223 17.769 -2.879 516 HH11 ARG 62 1HH1 ARG 62 -3.794 15.997 -5.781 517 HH12 ARG 62 2HH1 ARG 62 -4.688 17.283 -6.510 518 HH21 ARG 62 1HH2 ARG 62 -4.373 19.402 -3.832 519 HH22 ARG 62 2HH2 ARG 62 -4.994 19.193 -5.430 520 H ILE 63 H ILE 63 1.385 12.504 -1.076 521 HA ILE 63 HA ILE 63 0.069 9.927 -0.466 522 HB ILE 63 HB ILE 63 2.123 10.377 -2.650 523 HG12 ILE 63 2HG1 ILE 63 -0.127 11.152 -3.288 524 HG13 ILE 63 1HG1 ILE 63 0.335 9.722 -4.204 525 HG21 ILE 63 1HG2 ILE 63 2.479 8.233 -1.576 526 HG22 ILE 63 2HG2 ILE 63 1.781 7.988 -3.176 527 HG23 ILE 63 3HG2 ILE 63 0.770 7.832 -1.740 528 HD11 ILE 63 3HD1 ILE 63 -1.050 8.342 -2.735 529 HD12 ILE 63 1HD1 ILE 63 -1.986 9.614 -3.519 530 HD13 ILE 63 2HD1 ILE 63 -1.516 9.781 -1.826 531 H SER 64 H SER 64 1.032 8.851 1.143 532 HA SER 64 HA SER 64 3.931 9.039 1.521 533 HB2 SER 64 2HB SER 64 1.938 9.683 3.716 534 HB3 SER 64 1HB SER 64 3.675 9.486 3.955 535 HG SER 64 HG SER 64 3.189 11.241 1.954 536 H LEU 65 H LEU 65 4.854 7.247 2.531 537 HA LEU 65 HA LEU 65 3.050 5.019 3.235 538 HB2 LEU 65 2HB LEU 65 3.690 4.686 0.917 539 HB3 LEU 65 1HB LEU 65 5.382 4.915 1.312 540 HG LEU 65 HG LEU 65 5.264 2.827 2.712 541 HD11 LEU 65 1HD1 LEU 65 2.869 2.762 3.113 542 HD12 LEU 65 2HD1 LEU 65 3.401 1.282 2.319 543 HD13 LEU 65 3HD1 LEU 65 2.566 2.528 1.391 544 HD21 LEU 65 3HD2 LEU 65 4.598 2.506 -0.216 545 HD22 LEU 65 1HD2 LEU 65 5.373 1.301 0.812 546 HD23 LEU 65 2HD2 LEU 65 6.200 2.816 0.451 547 H TYR 66 H TYR 66 3.734 3.763 4.946 548 HA TYR 66 HA TYR 66 6.582 3.757 5.610 549 HB2 TYR 66 2HB TYR 66 6.330 4.314 7.896 550 HB3 TYR 66 1HB TYR 66 5.414 5.523 7.011 551 HD1 TYR 66 HD2 TYR 66 2.906 5.405 6.991 552 HD2 TYR 66 HD1 TYR 66 5.275 2.885 9.479 553 HE1 TYR 66 HE2 TYR 66 0.940 4.946 8.398 554 HE2 TYR 66 HE1 TYR 66 3.318 2.416 10.880 555 HH TYR 66 HH TYR 66 1.039 3.801 11.378 556 H GLN 67 H GLN 67 7.296 1.909 6.728 557 HA GLN 67 HA GLN 67 5.285 -0.207 7.160 558 HB2 GLN 67 2HB GLN 67 6.868 -1.880 6.359 559 HB3 GLN 67 1HB GLN 67 6.583 -0.674 5.114 560 HG2 GLN 67 2HG GLN 67 8.722 0.437 5.855 561 HG3 GLN 67 1HG GLN 67 9.019 -0.983 6.857 562 HE21 GLN 67 1HE2 GLN 67 9.315 -3.006 5.800 563 HE22 GLN 67 2HE2 GLN 67 9.871 -3.075 4.170 564 H ASP 68 H ASP 68 5.265 -1.003 9.166 565 HA ASP 68 HA ASP 68 7.114 0.053 11.112 566 HB2 ASP 68 2HB ASP 68 4.634 -0.146 11.472 567 HB3 ASP 68 1HB ASP 68 4.830 -1.894 11.531 568 H ASN 69 H ASN 69 8.219 -1.297 12.715 569 HA ASN 69 HA ASN 69 9.848 -3.258 11.499 570 HB2 ASN 69 2HB ASN 69 9.494 -2.600 14.435 571 HB3 ASN 69 1HB ASN 69 10.798 -3.581 13.767 572 HD21 ASN 69 1HD2 ASN 69 12.441 -2.582 12.614 573 HD22 ASN 69 2HD2 ASN 69 12.665 -0.870 12.622 574 H THR 70 H THR 70 6.902 -3.512 13.357 575 HA THR 70 HA THR 70 7.021 -6.298 13.954 576 HB THR 70 HB THR 70 4.577 -6.144 14.313 577 HG1 THR 70 HG1 THR 70 4.581 -3.391 13.782 578 HG21 THR 70 3HG2 THR 70 6.137 -3.813 15.452 579 HG22 THR 70 1HG2 THR 70 6.044 -5.440 16.126 580 HG23 THR 70 2HG2 THR 70 4.607 -4.419 16.085 581 H GLY 71 H GLY 71 6.515 -4.601 11.040 582 HA2 GLY 71 2HA GLY 71 6.558 -5.800 8.953 583 HA3 GLY 71 1HA GLY 71 5.631 -7.086 9.709 584 H ARG 72 H ARG 72 4.444 -4.015 10.558 585 HA ARG 72 HA ARG 72 2.093 -4.429 8.913 586 HB2 ARG 72 2HB ARG 72 1.967 -3.660 11.315 587 HB3 ARG 72 1HB ARG 72 2.629 -2.116 10.790 588 HG2 ARG 72 2HG ARG 72 0.680 -1.914 9.217 589 HG3 ARG 72 1HG ARG 72 -0.001 -3.351 9.978 590 HD2 ARG 72 2HD ARG 72 -1.038 -1.519 11.041 591 HD3 ARG 72 1HD ARG 72 0.176 -2.097 12.182 592 HE ARG 72 HE ARG 72 0.604 0.242 10.426 593 HH11 ARG 72 1HH1 ARG 72 0.822 -1.298 13.500 594 HH12 ARG 72 2HH1 ARG 72 1.579 0.060 14.254 595 HH21 ARG 72 1HH2 ARG 72 1.573 1.978 11.408 596 HH22 ARG 72 2HH2 ARG 72 2.040 1.870 13.073 597 H VAL 73 H VAL 73 2.112 -3.765 6.858 598 HA VAL 73 HA VAL 73 3.559 -1.338 6.084 599 HB VAL 73 HB VAL 73 2.008 -3.298 4.365 600 HG11 VAL 73 1HG1 VAL 73 3.936 -1.110 3.562 601 HG12 VAL 73 2HG1 VAL 73 2.183 -1.049 3.376 602 HG13 VAL 73 3HG1 VAL 73 3.122 -2.237 2.472 603 HG21 VAL 73 3HG2 VAL 73 3.938 -4.364 5.414 604 HG22 VAL 73 1HG2 VAL 73 4.985 -3.061 4.845 605 HG23 VAL 73 2HG2 VAL 73 4.214 -4.146 3.686 606 H THR 74 H THR 74 2.548 0.595 5.846 607 HA THR 74 HA THR 74 -0.391 0.624 5.587 608 HB THR 74 HB THR 74 1.146 2.335 7.563 609 HG1 THR 74 HG1 THR 74 -0.137 -0.129 7.773 610 HG21 THR 74 3HG2 THR 74 -1.062 3.044 8.348 611 HG22 THR 74 1HG2 THR 74 -1.839 2.056 7.110 612 HG23 THR 74 2HG2 THR 74 -0.857 3.444 6.642 613 H LEU 75 H LEU 75 -0.935 1.764 3.874 614 HA LEU 75 HA LEU 75 0.772 3.932 2.887 615 HB2 LEU 75 2HB LEU 75 0.054 2.207 1.294 616 HB3 LEU 75 1HB LEU 75 -1.627 2.559 1.651 617 HG LEU 75 HG LEU 75 -1.350 4.824 0.696 618 HD11 LEU 75 1HD1 LEU 75 0.659 5.385 -0.577 619 HD12 LEU 75 2HD1 LEU 75 1.423 3.887 -0.044 620 HD13 LEU 75 3HD1 LEU 75 1.030 5.143 1.130 621 HD21 LEU 75 3HD2 LEU 75 -1.171 4.137 -1.656 622 HD22 LEU 75 1HD2 LEU 75 -2.178 3.029 -0.725 623 HD23 LEU 75 2HD2 LEU 75 -0.527 2.575 -1.149 624 H LEU 76 H LEU 76 0.285 5.997 3.310 625 HA LEU 76 HA LEU 76 -2.430 6.694 4.241 626 HB2 LEU 76 2HB LEU 76 0.181 8.170 4.658 627 HB3 LEU 76 1HB LEU 76 -1.377 8.637 5.316 628 HG LEU 76 HG LEU 76 0.121 6.104 6.023 629 HD11 LEU 76 1HD1 LEU 76 0.492 7.165 8.191 630 HD12 LEU 76 2HD1 LEU 76 -0.275 8.642 7.604 631 HD13 LEU 76 3HD1 LEU 76 1.238 8.088 6.887 632 HD21 LEU 76 3HD2 LEU 76 -2.286 5.801 6.200 633 HD22 LEU 76 1HD2 LEU 76 -2.421 7.275 7.160 634 HD23 LEU 76 2HD2 LEU 76 -1.555 5.877 7.803 635 H ILE 77 H ILE 77 -3.641 7.592 2.694 636 HA ILE 77 HA ILE 77 -2.349 9.319 0.675 637 HB ILE 77 HB ILE 77 -4.978 7.827 0.495 638 HG12 ILE 77 2HG1 ILE 77 -2.324 7.339 -0.895 639 HG13 ILE 77 1HG1 ILE 77 -2.987 6.359 0.405 640 HG21 ILE 77 1HG2 ILE 77 -4.965 8.523 -1.873 641 HG22 ILE 77 2HG2 ILE 77 -3.540 9.514 -1.559 642 HG23 ILE 77 3HG2 ILE 77 -5.072 9.896 -0.772 643 HD11 ILE 77 3HD1 ILE 77 -4.180 6.704 -2.333 644 HD12 ILE 77 1HD1 ILE 77 -4.854 5.722 -1.032 645 HD13 ILE 77 2HD1 ILE 77 -3.298 5.296 -1.744 646 H LYS 78 H LYS 78 -2.677 11.415 0.880 647 HA LYS 78 HA LYS 78 -4.955 12.408 2.475 648 HB2 LYS 78 2HB LYS 78 -2.184 13.542 2.056 649 HB3 LYS 78 1HB LYS 78 -3.474 14.404 2.880 650 HG2 LYS 78 2HG LYS 78 -3.520 12.806 4.649 651 HG3 LYS 78 1HG LYS 78 -2.426 11.727 3.777 652 HD2 LYS 78 2HD LYS 78 -0.590 13.182 4.060 653 HD3 LYS 78 1HD LYS 78 -1.623 14.531 4.532 654 HE2 LYS 78 2HE LYS 78 -1.351 12.004 6.151 655 HE3 LYS 78 1HE LYS 78 -0.345 13.431 6.402 656 HZ1 LYS 78 3HZ LYS 78 -2.323 14.713 6.882 657 HZ2 LYS 78 1HZ LYS 78 -2.240 13.372 7.909 658 HZ3 LYS 78 2HZ LYS 78 -3.310 13.370 6.602 659 H ASP 79 H ASP 79 -6.154 14.174 1.766 660 HA ASP 79 HA ASP 79 -7.024 15.779 0.392 661 HB2 ASP 79 2HB ASP 79 -4.662 16.638 0.957 662 HB3 ASP 79 1HB ASP 79 -4.216 16.143 -0.670 663 H VAL 80 H VAL 80 -7.069 13.102 -0.592 664 HA VAL 80 HA VAL 80 -6.184 13.012 -3.333 665 HB VAL 80 HB VAL 80 -6.221 11.044 -1.761 666 HG11 VAL 80 1HG1 VAL 80 -9.184 11.053 -2.339 667 HG12 VAL 80 2HG1 VAL 80 -8.438 11.420 -0.782 668 HG13 VAL 80 3HG1 VAL 80 -8.294 9.801 -1.471 669 HG21 VAL 80 3HG2 VAL 80 -7.675 10.706 -4.384 670 HG22 VAL 80 1HG2 VAL 80 -6.888 9.416 -3.471 671 HG23 VAL 80 2HG2 VAL 80 -5.926 10.729 -4.149 672 H ASN 81 H ASN 81 -7.497 12.753 -5.209 673 HA ASN 81 HA ASN 81 -10.342 13.507 -4.928 674 HB2 ASN 81 2HB ASN 81 -10.060 14.560 -7.253 675 HB3 ASN 81 1HB ASN 81 -9.362 15.420 -5.886 676 HD21 ASN 81 1HD2 ASN 81 -8.646 13.413 -8.644 677 HD22 ASN 81 2HD2 ASN 81 -6.974 13.815 -8.743 678 H LYS 82 H LYS 82 -11.442 13.051 -7.265 679 HA LYS 82 HA LYS 82 -11.972 10.359 -7.337 680 HB2 LYS 82 2HB LYS 82 -12.223 12.417 -9.521 681 HB3 LYS 82 1HB LYS 82 -12.850 10.785 -9.688 682 HG2 LYS 82 2HG LYS 82 -13.664 12.719 -7.528 683 HG3 LYS 82 1HG LYS 82 -14.549 12.456 -9.030 684 HD2 LYS 82 2HD LYS 82 -14.633 9.985 -8.334 685 HD3 LYS 82 1HD LYS 82 -14.121 10.544 -6.737 686 HE2 LYS 82 2HE LYS 82 -16.569 10.302 -6.921 687 HE3 LYS 82 1HE LYS 82 -16.070 11.954 -6.556 688 HZ1 LYS 82 3HZ LYS 82 -17.835 11.736 -8.283 689 HZ2 LYS 82 1HZ LYS 82 -16.692 11.016 -9.299 690 HZ3 LYS 82 2HZ LYS 82 -16.477 12.609 -8.777 691 H LYS 83 H LYS 83 -9.822 12.031 -9.656 692 HA LYS 83 HA LYS 83 -9.254 9.910 -11.331 693 HB2 LYS 83 2HB LYS 83 -7.374 12.149 -10.552 694 HB3 LYS 83 1HB LYS 83 -7.202 11.121 -11.968 695 HG2 LYS 83 2HG LYS 83 -9.422 13.082 -11.425 696 HG3 LYS 83 1HG LYS 83 -8.126 13.249 -12.608 697 HD2 LYS 83 2HD LYS 83 -8.999 11.202 -13.753 698 HD3 LYS 83 1HD LYS 83 -10.361 11.213 -12.632 699 HE2 LYS 83 2HE LYS 83 -9.643 13.372 -14.619 700 HE3 LYS 83 1HE LYS 83 -11.003 12.259 -14.727 701 HZ1 LYS 83 3HZ LYS 83 -11.881 13.258 -12.676 702 HZ2 LYS 83 1HZ LYS 83 -11.751 14.381 -13.932 703 HZ3 LYS 83 2HZ LYS 83 -10.615 14.376 -12.680 704 H ASP 84 H ASP 84 -7.918 10.506 -8.155 705 HA ASP 84 HA ASP 84 -5.685 8.713 -8.534 706 HB2 ASP 84 2HB ASP 84 -6.663 10.187 -6.080 707 HB3 ASP 84 1HB ASP 84 -5.193 9.213 -6.147 708 H ALA 85 H ALA 85 -8.889 8.066 -7.991 709 HA ALA 85 HA ALA 85 -8.500 5.872 -6.129 710 HB1 ALA 85 3HB ALA 85 -10.849 5.339 -6.584 711 HB2 ALA 85 1HB ALA 85 -10.877 6.543 -7.873 712 HB3 ALA 85 2HB ALA 85 -10.648 7.048 -6.200 713 H GLY 86 H GLY 86 -8.379 3.688 -6.645 714 HA2 GLY 86 2HA GLY 86 -8.776 2.530 -9.169 715 HA3 GLY 86 1HA GLY 86 -7.093 3.023 -9.073 716 H TRP 87 H TRP 87 -7.119 0.537 -9.440 717 HA TRP 87 HA TRP 87 -7.056 -0.872 -6.878 718 HB2 TRP 87 2HB TRP 87 -6.717 -1.774 -9.738 719 HB3 TRP 87 1HB TRP 87 -6.295 -2.820 -8.386 720 HD1 TRP 87 HD1 TRP 87 -9.361 -1.160 -10.023 721 HE1 TRP 87 HE1 TRP 87 -11.472 -2.415 -9.257 722 HE3 TRP 87 HE3 TRP 87 -7.236 -4.283 -6.579 723 HZ2 TRP 87 HZ2 TRP 87 -12.148 -4.459 -7.429 724 HZ3 TRP 87 HZ3 TRP 87 -8.684 -5.860 -5.364 725 HH2 TRP 87 HH2 TRP 87 -11.092 -5.945 -5.782 726 H TYR 88 H TYR 88 -5.303 -0.844 -5.675 727 HA TYR 88 HA TYR 88 -2.692 -0.163 -6.795 728 HB2 TYR 88 2HB TYR 88 -3.641 -0.481 -3.933 729 HB3 TYR 88 1HB TYR 88 -1.996 -0.056 -4.389 730 HD1 TYR 88 HD1 TYR 88 -5.518 1.105 -4.908 731 HD2 TYR 88 HD2 TYR 88 -1.423 2.192 -4.483 732 HE1 TYR 88 HE1 TYR 88 -6.152 3.478 -4.924 733 HE2 TYR 88 HE2 TYR 88 -2.050 4.568 -4.500 734 HH TYR 88 HH TYR 88 -5.329 5.608 -4.257 735 H THR 89 H THR 89 -1.378 -1.770 -7.423 736 HA THR 89 HA THR 89 -1.606 -4.425 -6.195 737 HB THR 89 HB THR 89 0.084 -3.595 -8.574 738 HG1 THR 89 HG1 THR 89 -2.072 -3.373 -9.166 739 HG21 THR 89 3HG2 THR 89 0.879 -5.630 -7.490 740 HG22 THR 89 1HG2 THR 89 0.141 -6.017 -9.044 741 HG23 THR 89 2HG2 THR 89 -0.745 -6.317 -7.548 742 H VAL 90 H VAL 90 -0.382 -4.715 -4.426 743 HA VAL 90 HA VAL 90 2.143 -3.234 -4.168 744 HB VAL 90 HB VAL 90 0.646 -2.872 -2.319 745 HG11 VAL 90 1HG1 VAL 90 0.628 -5.867 -1.914 746 HG12 VAL 90 2HG1 VAL 90 -0.718 -4.887 -2.495 747 HG13 VAL 90 3HG1 VAL 90 -0.122 -4.676 -0.849 748 HG21 VAL 90 3HG2 VAL 90 3.028 -2.965 -1.783 749 HG22 VAL 90 1HG2 VAL 90 2.912 -4.702 -1.494 750 HG23 VAL 90 2HG2 VAL 90 2.064 -3.573 -0.436 751 H SER 91 H SER 91 4.002 -4.227 -4.510 752 HA SER 91 HA SER 91 4.168 -7.162 -4.171 753 HB2 SER 91 2HB SER 91 5.794 -5.337 -5.969 754 HB3 SER 91 1HB SER 91 6.094 -7.062 -5.758 755 HG SER 91 HG SER 91 4.003 -7.456 -6.601 756 H ALA 92 H ALA 92 5.395 -7.887 -2.558 757 HA ALA 92 HA ALA 92 7.481 -6.128 -1.425 758 HB1 ALA 92 3HB ALA 92 7.278 -7.438 0.627 759 HB2 ALA 92 1HB ALA 92 6.087 -8.487 -0.144 760 HB3 ALA 92 2HB ALA 92 5.708 -6.790 0.149 761 H VAL 93 H VAL 93 9.501 -6.627 -2.080 762 HA VAL 93 HA VAL 93 10.043 -9.410 -2.906 763 HB VAL 93 HB VAL 93 10.272 -7.839 -4.736 764 HG11 VAL 93 1HG1 VAL 93 12.376 -6.445 -3.077 765 HG12 VAL 93 2HG1 VAL 93 10.774 -5.815 -3.459 766 HG13 VAL 93 3HG1 VAL 93 11.952 -6.068 -4.747 767 HG21 VAL 93 3HG2 VAL 93 11.765 -9.768 -4.719 768 HG22 VAL 93 1HG2 VAL 93 12.962 -8.857 -3.800 769 HG23 VAL 93 2HG2 VAL 93 12.564 -8.375 -5.449 770 H ASN 94 H ASN 94 11.197 -10.586 -1.592 771 HA ASN 94 HA ASN 94 13.342 -9.372 0.039 772 HB2 ASN 94 2HB ASN 94 11.611 -10.414 1.395 773 HB3 ASN 94 1HB ASN 94 11.707 -11.894 0.451 774 HD21 ASN 94 1HD2 ASN 94 13.265 -9.952 2.870 775 HD22 ASN 94 2HD2 ASN 94 14.335 -11.177 3.427 776 H GLU 95 H GLU 95 15.344 -10.641 0.241 777 HA GLU 95 HA GLU 95 16.386 -11.561 -2.189 778 HB2 GLU 95 2HB GLU 95 18.304 -12.362 -0.831 779 HB3 GLU 95 1HB GLU 95 17.815 -10.722 -0.426 780 HG2 GLU 95 2HG GLU 95 16.500 -11.719 1.492 781 HG3 GLU 95 1HG GLU 95 17.320 -13.240 1.148 782 H ALA 96 H ALA 96 14.977 -13.363 0.490 783 HA ALA 96 HA ALA 96 15.506 -15.969 -0.513 784 HB1 ALA 96 3HB ALA 96 15.068 -15.544 1.850 785 HB2 ALA 96 1HB ALA 96 13.928 -16.723 1.198 786 HB3 ALA 96 2HB ALA 96 13.419 -15.055 1.466 787 H GLY 97 H GLY 97 12.750 -13.754 -0.877 788 HA2 GLY 97 2HA GLY 97 11.813 -14.995 -3.249 789 HA3 GLY 97 1HA GLY 97 10.851 -15.549 -1.890 790 H VAL 98 H VAL 98 9.325 -14.381 -3.616 791 HA VAL 98 HA VAL 98 8.887 -11.640 -2.618 792 HB VAL 98 HB VAL 98 10.012 -11.429 -4.776 793 HG11 VAL 98 1HG1 VAL 98 7.722 -13.041 -5.910 794 HG12 VAL 98 2HG1 VAL 98 9.400 -13.569 -5.767 795 HG13 VAL 98 3HG1 VAL 98 8.983 -12.240 -6.851 796 HG21 VAL 98 3HG2 VAL 98 8.348 -9.739 -4.204 797 HG22 VAL 98 1HG2 VAL 98 7.081 -10.710 -4.953 798 HG23 VAL 98 2HG2 VAL 98 8.366 -10.023 -5.946 799 H THR 99 H THR 99 6.723 -10.911 -2.597 800 HA THR 99 HA THR 99 4.617 -12.726 -3.540 801 HB THR 99 HB THR 99 4.866 -13.324 -1.174 802 HG1 THR 99 HG1 THR 99 2.746 -13.306 -2.084 803 HG21 THR 99 3HG2 THR 99 4.247 -10.415 -0.613 804 HG22 THR 99 1HG2 THR 99 5.794 -11.215 -0.337 805 HG23 THR 99 2HG2 THR 99 4.375 -11.694 0.594 806 H THR 100 H THR 100 2.707 -11.715 -4.139 807 HA THR 100 HA THR 100 2.665 -8.760 -3.975 808 HB THR 100 HB THR 100 2.019 -10.414 -6.435 809 HG1 THR 100 HG1 THR 100 4.214 -10.185 -6.321 810 HG21 THR 100 3HG2 THR 100 0.529 -8.490 -6.295 811 HG22 THR 100 1HG2 THR 100 1.722 -8.241 -7.568 812 HG23 THR 100 2HG2 THR 100 1.904 -7.419 -6.018 813 H CYS 101 H CYS 101 0.654 -7.780 -3.770 814 HA CYS 101 HA CYS 101 -1.753 -9.478 -3.786 815 HB2 CYS 101 2HB CYS 101 -1.020 -9.338 -1.439 816 HB3 CYS 101 1HB CYS 101 -1.012 -7.582 -1.539 817 HG CYS 101 HG CYS 101 -3.268 -8.892 -0.127 818 H ASN 102 H ASN 102 -3.795 -8.138 -3.735 819 HA ASN 102 HA ASN 102 -3.386 -5.592 -5.190 820 HB2 ASN 102 2HB ASN 102 -5.575 -7.648 -5.584 821 HB3 ASN 102 1HB ASN 102 -5.532 -6.073 -6.370 822 HD21 ASN 102 1HD2 ASN 102 -3.919 -5.673 -7.933 823 HD22 ASN 102 2HD2 ASN 102 -3.104 -6.973 -8.723 824 H THR 103 H THR 103 -4.647 -3.860 -4.716 825 HA THR 103 HA THR 103 -6.576 -4.042 -2.491 826 HB THR 103 HB THR 103 -4.424 -1.912 -2.740 827 HG1 THR 103 HG1 THR 103 -4.601 -4.290 -1.241 828 HG21 THR 103 3HG2 THR 103 -6.481 -1.077 -1.694 829 HG22 THR 103 1HG2 THR 103 -5.179 -1.205 -0.510 830 HG23 THR 103 2HG2 THR 103 -6.455 -2.422 -0.551 831 H ARG 104 H ARG 104 -8.231 -2.425 -2.542 832 HA ARG 104 HA ARG 104 -8.329 -0.840 -5.038 833 HB2 ARG 104 2HB ARG 104 -9.995 -2.575 -5.154 834 HB3 ARG 104 1HB ARG 104 -10.589 -2.186 -3.543 835 HG2 ARG 104 2HG ARG 104 -11.397 -0.030 -4.342 836 HG3 ARG 104 1HG ARG 104 -10.758 -0.374 -5.951 837 HD2 ARG 104 2HD ARG 104 -12.310 -2.155 -6.274 838 HD3 ARG 104 1HD ARG 104 -12.810 -2.113 -4.582 839 HE ARG 104 HE ARG 104 -13.463 0.340 -5.376 840 HH11 ARG 104 1HH1 ARG 104 -14.068 -2.718 -6.861 841 HH12 ARG 104 2HH1 ARG 104 -15.546 -2.191 -7.580 842 HH21 ARG 104 1HH2 ARG 104 -15.332 0.997 -6.293 843 HH22 ARG 104 2HH2 ARG 104 -16.261 -0.098 -7.261 844 H LEU 105 H LEU 105 -8.991 1.292 -4.938 845 HA LEU 105 HA LEU 105 -9.852 2.351 -2.319 846 HB2 LEU 105 2HB LEU 105 -7.500 2.957 -2.669 847 HB3 LEU 105 1HB LEU 105 -7.904 3.676 -4.218 848 HG LEU 105 HG LEU 105 -9.333 5.341 -3.024 849 HD11 LEU 105 1HD1 LEU 105 -9.069 5.605 -0.602 850 HD12 LEU 105 2HD1 LEU 105 -8.136 4.110 -0.543 851 HD13 LEU 105 3HD1 LEU 105 -9.834 4.073 -1.021 852 HD21 LEU 105 3HD2 LEU 105 -6.437 5.251 -2.172 853 HD22 LEU 105 1HD2 LEU 105 -7.477 6.677 -2.134 854 HD23 LEU 105 2HD2 LEU 105 -7.066 5.925 -3.675 855 H ASP 106 H ASP 106 -11.509 3.815 -2.363 856 HA ASP 106 HA ASP 106 -12.507 4.666 -5.010 857 HB2 ASP 106 2HB ASP 106 -14.077 3.699 -2.613 858 HB3 ASP 106 1HB ASP 106 -14.815 4.524 -3.980 859 H VAL 107 H VAL 107 -13.061 6.760 -5.250 860 HA VAL 107 HA VAL 107 -13.106 8.475 -2.842 861 HB VAL 107 HB VAL 107 -12.169 9.295 -5.609 862 HG11 VAL 107 1HG1 VAL 107 -12.189 10.819 -2.995 863 HG12 VAL 107 2HG1 VAL 107 -13.219 11.135 -4.391 864 HG13 VAL 107 3HG1 VAL 107 -11.477 11.386 -4.506 865 HG21 VAL 107 3HG2 VAL 107 -10.561 7.797 -4.525 866 HG22 VAL 107 1HG2 VAL 107 -10.566 8.820 -3.088 867 HG23 VAL 107 2HG2 VAL 107 -9.931 9.443 -4.612 868 H THR 108 H THR 108 -14.637 10.110 -2.758 869 HA THR 108 HA THR 108 -16.833 9.973 -4.731 870 HB THR 108 HB THR 108 -17.120 10.360 -1.736 871 HG1 THR 108 HG1 THR 108 -17.418 8.102 -3.416 872 HG21 THR 108 3HG2 THR 108 -19.525 10.149 -2.136 873 HG22 THR 108 1HG2 THR 108 -19.231 10.004 -3.872 874 HG23 THR 108 2HG2 THR 108 -18.861 11.512 -3.037 875 H ALA 109 H ALA 109 -17.932 11.954 -5.148 876 HA ALA 109 HA ALA 109 -16.243 14.267 -4.956 877 HB1 ALA 109 3HB ALA 109 -19.064 14.005 -6.009 878 HB2 ALA 109 1HB ALA 109 -17.581 13.854 -6.953 879 HB3 ALA 109 2HB ALA 109 -18.008 15.402 -6.226 880 H ARG 110 H ARG 110 -16.362 15.969 -3.590 881 HA ARG 110 HA ARG 110 -18.073 15.718 -1.270 882 HB2 ARG 110 2HB ARG 110 -15.688 16.380 -1.072 883 HB3 ARG 110 1HB ARG 110 -16.044 17.862 -1.948 884 HG2 ARG 110 2HG ARG 110 -17.618 18.497 -0.160 885 HG3 ARG 110 1HG ARG 110 -17.155 17.054 0.736 886 HD2 ARG 110 2HD ARG 110 -15.229 19.220 -0.114 887 HD3 ARG 110 1HD ARG 110 -16.010 19.160 1.466 888 HE ARG 110 HE ARG 110 -14.854 16.781 1.416 889 HH11 ARG 110 1HH1 ARG 110 -13.586 19.838 0.473 890 HH12 ARG 110 2HH1 ARG 110 -11.969 19.433 0.924 891 HH21 ARG 110 1HH2 ARG 110 -12.778 16.274 2.009 892 HH22 ARG 110 2HH2 ARG 110 -11.526 17.445 1.792 893 HA PRO 111 HA PRO 111 -21.469 18.018 -2.963 894 HB2 PRO 111 2HB PRO 111 -21.936 18.832 -0.131 895 HB3 PRO 111 1HB PRO 111 -23.039 18.075 -1.286 896 HG2 PRO 111 2HG PRO 111 -21.963 16.645 0.680 897 HG3 PRO 111 1HG PRO 111 -22.164 15.949 -0.940 898 HD2 PRO 111 2HD PRO 111 -19.689 16.992 0.388 899 HD3 PRO 111 1HD PRO 111 -19.888 15.585 -0.676 900 H ASN 112 H ASN 112 -19.250 19.603 -0.726 901 HA ASN 112 HA ASN 112 -19.293 22.024 -2.303 902 HB2 ASN 112 2HB ASN 112 -21.242 22.366 -0.813 903 HB3 ASN 112 1HB ASN 112 -20.209 22.112 0.590 904 HD21 ASN 112 1HD2 ASN 112 -20.577 24.159 1.428 905 HD22 ASN 112 2HD2 ASN 112 -19.943 25.591 0.696 906 H GLN 113 H GLN 113 -17.456 23.345 -1.926 907 HA GLN 113 HA GLN 113 -15.441 22.172 -0.121 908 HB2 GLN 113 2HB GLN 113 -14.743 22.451 -2.474 909 HB3 GLN 113 1HB GLN 113 -15.058 24.180 -2.360 910 HG2 GLN 113 2HG GLN 113 -13.338 24.332 -0.576 911 HG3 GLN 113 1HG GLN 113 -12.980 22.625 -0.822 912 HE21 GLN 113 1HE2 GLN 113 -11.281 24.969 -1.124 913 HE22 GLN 113 2HE2 GLN 113 -10.698 24.931 -2.752 914 H THR 114 H THR 114 -15.838 23.035 1.862 915 HA THR 114 HA THR 114 -16.139 25.941 2.145 916 HB THR 114 HB THR 114 -16.586 25.454 4.548 917 HG1 THR 114 HG1 THR 114 -15.583 23.556 4.991 918 HG21 THR 114 3HG2 THR 114 -18.779 24.399 4.230 919 HG22 THR 114 1HG2 THR 114 -18.296 23.866 2.620 920 HG23 THR 114 2HG2 THR 114 -18.457 25.588 2.967 921 H LEU 115 H LEU 115 -14.969 26.896 4.116 922 HA LEU 115 HA LEU 115 -12.140 26.208 4.008 923 HB2 LEU 115 2HB LEU 115 -13.658 28.445 5.358 924 HB3 LEU 115 1HB LEU 115 -11.936 28.205 5.577 925 HG LEU 115 HG LEU 115 -12.258 29.943 3.949 926 HD11 LEU 115 1HD1 LEU 115 -11.431 27.397 2.556 927 HD12 LEU 115 2HD1 LEU 115 -10.393 28.434 3.535 928 HD13 LEU 115 3HD1 LEU 115 -11.066 29.039 2.022 929 HD21 LEU 115 3HD2 LEU 115 -13.950 27.987 2.383 930 HD22 LEU 115 1HD2 LEU 115 -13.469 29.599 1.850 931 HD23 LEU 115 2HD2 LEU 115 -14.533 29.414 3.242 932 HA PRO 116 HA PRO 116 -12.334 23.611 7.612 933 HB2 PRO 116 2HB PRO 116 -9.695 23.719 8.348 934 HB3 PRO 116 1HB PRO 116 -10.305 22.742 7.010 935 HG2 PRO 116 2HG PRO 116 -8.993 25.436 6.944 936 HG3 PRO 116 1HG PRO 116 -8.738 24.040 5.881 937 HD2 PRO 116 2HD PRO 116 -10.261 26.144 5.142 938 HD3 PRO 116 1HD PRO 116 -10.635 24.487 4.628 Start of MODEL 15 1 H1 MET 1 1H MET 1 45.669 -19.048 1.101 2 H2 MET 1 2H MET 1 44.877 -18.411 2.451 3 H3 MET 1 3H MET 1 45.897 -19.750 2.620 4 HA MET 1 HA MET 1 47.807 -18.442 2.000 5 HB2 MET 1 2HB MET 1 47.615 -16.002 1.740 6 HB3 MET 1 1HB MET 1 46.687 -16.860 0.520 7 HG2 MET 1 2HG MET 1 44.632 -16.438 1.787 8 HG3 MET 1 1HG MET 1 45.565 -15.565 3.002 9 HE1 MET 1 3HE MET 1 46.869 -12.491 0.919 10 HE2 MET 1 1HE MET 1 47.692 -14.029 1.180 11 HE3 MET 1 2HE MET 1 46.833 -13.251 2.511 12 H GLY 2 H GLY 2 45.141 -17.610 4.200 13 HA2 GLY 2 2HA GLY 2 47.091 -16.713 6.228 14 HA3 GLY 2 1HA GLY 2 45.368 -16.379 6.245 15 H HIS 3 H HIS 3 46.033 -17.144 8.577 16 HA HIS 3 HA HIS 3 45.587 -20.067 8.744 17 HB2 HIS 3 2HB HIS 3 46.949 -18.268 10.767 18 HB3 HIS 3 1HB HIS 3 46.673 -19.995 10.961 19 HD1 HIS 3 HD1 HIS 3 49.379 -18.002 10.460 20 HD2 HIS 3 HD2 HIS 3 47.885 -21.172 8.228 21 HE1 HIS 3 HE1 HIS 3 51.328 -18.885 9.161 22 HE2 HIS 3 HE2 HIS 3 50.370 -20.679 7.694 23 H HIS 4 H HIS 4 43.966 -17.190 9.122 24 HA HIS 4 HA HIS 4 41.944 -18.511 10.752 25 HB2 HIS 4 2HB HIS 4 41.683 -16.651 12.320 26 HB3 HIS 4 1HB HIS 4 43.300 -17.332 12.425 27 HD1 HIS 4 HD1 HIS 4 45.225 -15.737 12.139 28 HD2 HIS 4 HD2 HIS 4 41.598 -14.074 10.968 29 HE1 HIS 4 HE1 HIS 4 45.691 -13.298 11.755 30 HE2 HIS 4 HE2 HIS 4 43.517 -12.341 10.933 31 H HIS 5 H HIS 5 39.866 -17.833 10.400 32 HA HIS 5 HA HIS 5 39.355 -15.475 8.748 33 HB2 HIS 5 2HB HIS 5 39.605 -17.273 7.111 34 HB3 HIS 5 1HB HIS 5 38.445 -18.267 7.987 35 HD1 HIS 5 HD1 HIS 5 38.236 -14.660 6.775 36 HD2 HIS 5 HD2 HIS 5 36.190 -18.267 6.492 37 HE1 HIS 5 HE1 HIS 5 36.167 -14.152 5.462 38 HE2 HIS 5 HE2 HIS 5 35.069 -16.386 5.113 39 H HIS 6 H HIS 6 37.556 -14.415 9.394 40 HA HIS 6 HA HIS 6 36.287 -15.054 11.789 41 HB2 HIS 6 2HB HIS 6 36.388 -12.772 10.938 42 HB3 HIS 6 1HB HIS 6 35.343 -13.201 9.588 43 HD1 HIS 6 HD1 HIS 6 35.192 -13.088 13.391 44 HD2 HIS 6 HD2 HIS 6 32.687 -12.782 10.086 45 HE1 HIS 6 HE1 HIS 6 32.936 -12.496 14.308 46 HE2 HIS 6 HE2 HIS 6 31.411 -12.474 12.317 47 H HIS 7 H HIS 7 35.066 -16.780 12.141 48 HA HIS 7 HA HIS 7 33.477 -18.146 10.262 49 HB2 HIS 7 2HB HIS 7 34.233 -19.272 12.244 50 HB3 HIS 7 1HB HIS 7 33.450 -18.093 13.287 51 HD1 HIS 7 HD1 HIS 7 32.645 -20.999 11.019 52 HD2 HIS 7 HD2 HIS 7 30.817 -18.613 13.886 53 HE1 HIS 7 HE1 HIS 7 30.438 -22.094 11.498 54 HE2 HIS 7 HE2 HIS 7 29.286 -20.535 13.100 55 H HIS 8 H HIS 8 31.571 -17.638 9.396 56 HA HIS 8 HA HIS 8 29.905 -15.535 10.562 57 HB2 HIS 8 2HB HIS 8 29.817 -17.014 7.925 58 HB3 HIS 8 1HB HIS 8 28.541 -15.915 8.433 59 HD1 HIS 8 HD1 HIS 8 28.886 -13.491 7.970 60 HD2 HIS 8 HD2 HIS 8 32.390 -15.690 7.567 61 HE1 HIS 8 HE1 HIS 8 30.572 -11.896 7.016 62 HE2 HIS 8 HE2 HIS 8 32.645 -13.276 6.670 63 H SER 9 H SER 9 27.402 -16.067 10.128 64 HA SER 9 HA SER 9 26.857 -18.632 11.498 65 HB2 SER 9 2HB SER 9 25.381 -15.990 11.695 66 HB3 SER 9 1HB SER 9 24.800 -17.499 12.402 67 HG SER 9 HG SER 9 26.132 -17.221 14.002 68 H HIS 10 H HIS 10 24.821 -19.684 10.999 69 HA HIS 10 HA HIS 10 24.093 -19.463 8.198 70 HB2 HIS 10 2HB HIS 10 22.962 -21.274 10.357 71 HB3 HIS 10 1HB HIS 10 22.650 -21.410 8.630 72 HD1 HIS 10 HD1 HIS 10 24.524 -22.435 7.159 73 HD2 HIS 10 HD2 HIS 10 25.466 -22.225 11.199 74 HE1 HIS 10 HE1 HIS 10 26.578 -23.843 7.447 75 HE2 HIS 10 HE2 HIS 10 27.045 -23.811 9.913 76 H GLU 11 H GLU 11 22.758 -17.836 7.634 77 HA GLU 11 HA GLU 11 20.909 -16.754 9.622 78 HB2 GLU 11 2HB GLU 11 21.850 -15.673 6.959 79 HB3 GLU 11 1HB GLU 11 20.693 -14.852 8.003 80 HG2 GLU 11 2HG GLU 11 22.369 -14.718 9.776 81 HG3 GLU 11 1HG GLU 11 23.529 -15.564 8.754 82 H HIS 12 H HIS 12 18.731 -16.409 9.272 83 HA HIS 12 HA HIS 12 17.503 -18.556 7.743 84 HB2 HIS 12 2HB HIS 12 16.123 -16.563 9.553 85 HB3 HIS 12 1HB HIS 12 15.546 -18.152 9.064 86 HD1 HIS 12 HD1 HIS 12 16.963 -20.224 10.077 87 HD2 HIS 12 HD2 HIS 12 17.523 -16.532 11.897 88 HE1 HIS 12 HE1 HIS 12 18.043 -20.721 12.285 89 HE2 HIS 12 HE2 HIS 12 18.209 -18.492 13.438 90 H LYS 13 H LYS 13 16.341 -18.317 5.898 91 HA LYS 13 HA LYS 13 15.686 -15.571 5.020 92 HB2 LYS 13 2HB LYS 13 16.259 -18.035 3.358 93 HB3 LYS 13 1HB LYS 13 15.679 -16.513 2.697 94 HG2 LYS 13 2HG LYS 13 17.730 -15.422 3.671 95 HG3 LYS 13 1HG LYS 13 18.321 -17.042 4.041 96 HD2 LYS 13 2HD LYS 13 17.604 -16.014 1.286 97 HD3 LYS 13 1HD LYS 13 19.240 -16.184 1.922 98 HE2 LYS 13 2HE LYS 13 18.925 -18.602 2.114 99 HE3 LYS 13 1HE LYS 13 17.272 -18.444 1.520 100 HZ1 LYS 13 3HZ LYS 13 18.809 -19.139 -0.223 101 HZ2 LYS 13 1HZ LYS 13 19.714 -17.725 -0.012 102 HZ3 LYS 13 2HZ LYS 13 18.124 -17.639 -0.578 103 H ARG 14 H ARG 14 13.616 -15.062 5.014 104 HA ARG 14 HA ARG 14 11.575 -17.183 4.703 105 HB2 ARG 14 2HB ARG 14 11.674 -16.231 7.001 106 HB3 ARG 14 1HB ARG 14 11.372 -14.636 6.333 107 HG2 ARG 14 2HG ARG 14 9.284 -15.292 7.099 108 HG3 ARG 14 1HG ARG 14 9.211 -15.668 5.378 109 HD2 ARG 14 2HD ARG 14 8.271 -17.512 6.564 110 HD3 ARG 14 1HD ARG 14 9.842 -18.028 5.949 111 HE ARG 14 HE ARG 14 10.701 -17.614 8.242 112 HH11 ARG 14 1HH1 ARG 14 7.327 -18.165 7.766 113 HH12 ARG 14 2HH1 ARG 14 7.085 -18.715 9.385 114 HH21 ARG 14 1HH2 ARG 14 10.357 -18.302 10.323 115 HH22 ARG 14 2HH2 ARG 14 8.772 -18.790 10.812 116 H ALA 15 H ALA 15 10.132 -16.878 3.055 117 HA ALA 15 HA ALA 15 10.307 -14.549 1.380 118 HB1 ALA 15 3HB ALA 15 8.282 -16.794 1.324 119 HB2 ALA 15 1HB ALA 15 9.817 -16.773 0.453 120 HB3 ALA 15 2HB ALA 15 8.559 -15.606 0.050 121 HA PRO 16 HA PRO 16 7.485 -11.873 3.504 122 HB2 PRO 16 2HB PRO 16 6.316 -10.625 1.313 123 HB3 PRO 16 1HB PRO 16 7.854 -10.161 2.048 124 HG2 PRO 16 2HG PRO 16 7.338 -11.852 -0.367 125 HG3 PRO 16 1HG PRO 16 8.595 -10.627 -0.103 126 HD2 PRO 16 2HD PRO 16 9.140 -13.250 0.040 127 HD3 PRO 16 1HD PRO 16 9.923 -12.084 1.129 128 H MET 17 H MET 17 5.607 -12.354 4.431 129 HA MET 17 HA MET 17 3.527 -13.765 2.873 130 HB2 MET 17 2HB MET 17 4.431 -15.385 4.335 131 HB3 MET 17 1HB MET 17 4.555 -14.244 5.666 132 HG2 MET 17 2HG MET 17 2.785 -15.845 6.062 133 HG3 MET 17 1HG MET 17 2.127 -14.220 5.888 134 HE1 MET 17 3HE MET 17 -0.302 -15.115 5.558 135 HE2 MET 17 1HE MET 17 0.292 -16.758 5.801 136 HE3 MET 17 2HE MET 17 -0.742 -16.388 4.419 137 H PHE 18 H PHE 18 1.687 -12.624 2.685 138 HA PHE 18 HA PHE 18 1.046 -10.376 4.340 139 HB2 PHE 18 2HB PHE 18 -0.616 -11.928 2.334 140 HB3 PHE 18 1HB PHE 18 -1.191 -10.486 3.162 141 HD1 PHE 18 HD1 PHE 18 0.256 -8.348 2.887 142 HD2 PHE 18 HD2 PHE 18 0.481 -11.723 0.293 143 HE1 PHE 18 HE1 PHE 18 1.224 -6.928 1.127 144 HE2 PHE 18 HE2 PHE 18 1.459 -10.307 -1.467 145 HZ PHE 18 HZ PHE 18 1.829 -7.905 -1.051 146 H ILE 19 H ILE 19 0.630 -10.736 6.450 147 HA ILE 19 HA ILE 19 -0.673 -13.098 7.434 148 HB ILE 19 HB ILE 19 -0.127 -10.503 8.901 149 HG12 ILE 19 2HG1 ILE 19 1.588 -13.003 8.718 150 HG13 ILE 19 1HG1 ILE 19 1.927 -11.477 7.908 151 HG21 ILE 19 1HG2 ILE 19 -0.636 -13.299 9.937 152 HG22 ILE 19 2HG2 ILE 19 -1.747 -11.931 10.036 153 HG23 ILE 19 3HG2 ILE 19 -0.224 -11.893 10.923 154 HD11 ILE 19 3HD1 ILE 19 1.825 -11.898 10.888 155 HD12 ILE 19 1HD1 ILE 19 2.179 -10.378 10.067 156 HD13 ILE 19 2HD1 ILE 19 3.279 -11.745 9.905 157 H TYR 20 H TYR 20 -1.664 -9.763 6.828 158 HA TYR 20 HA TYR 20 -4.477 -10.580 7.139 159 HB2 TYR 20 2HB TYR 20 -3.279 -7.972 8.112 160 HB3 TYR 20 1HB TYR 20 -4.998 -8.345 8.090 161 HD1 TYR 20 HD1 TYR 20 -5.681 -10.532 9.410 162 HD2 TYR 20 HD2 TYR 20 -2.083 -8.352 10.069 163 HE1 TYR 20 HE1 TYR 20 -5.511 -11.500 11.665 164 HE2 TYR 20 HE2 TYR 20 -1.907 -9.318 12.328 165 HH TYR 20 HH TYR 20 -3.413 -10.311 14.034 166 H LYS 21 H LYS 21 -5.825 -9.880 5.563 167 HA LYS 21 HA LYS 21 -4.724 -8.831 3.156 168 HB2 LYS 21 2HB LYS 21 -7.012 -8.936 2.301 169 HB3 LYS 21 1HB LYS 21 -6.606 -10.408 3.170 170 HG2 LYS 21 2HG LYS 21 -7.860 -9.627 5.115 171 HG3 LYS 21 1HG LYS 21 -8.234 -8.119 4.281 172 HD2 LYS 21 2HD LYS 21 -10.132 -9.623 4.166 173 HD3 LYS 21 1HD LYS 21 -9.449 -9.396 2.557 174 HE2 LYS 21 2HE LYS 21 -8.273 -11.537 2.752 175 HE3 LYS 21 1HE LYS 21 -8.939 -11.757 4.369 176 HZ1 LYS 21 3HZ LYS 21 -11.150 -11.814 3.425 177 HZ2 LYS 21 1HZ LYS 21 -10.181 -12.987 2.694 178 HZ3 LYS 21 2HZ LYS 21 -10.534 -11.554 1.876 179 HA PRO 22 HA PRO 22 -5.572 -4.474 3.866 180 HB2 PRO 22 2HB PRO 22 -5.324 -3.815 1.112 181 HB3 PRO 22 1HB PRO 22 -4.080 -3.704 2.353 182 HG2 PRO 22 2HG PRO 22 -4.112 -5.476 0.175 183 HG3 PRO 22 1HG PRO 22 -3.034 -5.550 1.575 184 HD2 PRO 22 2HD PRO 22 -5.477 -7.132 0.973 185 HD3 PRO 22 1HD PRO 22 -4.049 -7.576 1.932 186 H GLN 23 H GLN 23 -7.502 -3.495 4.079 187 HA GLN 23 HA GLN 23 -9.761 -4.535 2.544 188 HB2 GLN 23 2HB GLN 23 -9.722 -2.692 4.949 189 HB3 GLN 23 1HB GLN 23 -11.154 -3.430 4.239 190 HG2 GLN 23 2HG GLN 23 -10.394 -5.631 4.857 191 HG3 GLN 23 1HG GLN 23 -8.858 -4.981 5.431 192 HE21 GLN 23 1HE2 GLN 23 -8.825 -3.807 7.369 193 HE22 GLN 23 2HE2 GLN 23 -10.109 -3.910 8.516 194 H SER 24 H SER 24 -10.813 -3.444 1.003 195 HA SER 24 HA SER 24 -9.768 -1.028 -0.057 196 HB2 SER 24 2HB SER 24 -11.674 -1.144 -1.642 197 HB3 SER 24 1HB SER 24 -10.825 -2.683 -1.508 198 HG SER 24 HG SER 24 -13.369 -2.325 -1.238 199 H LYS 25 H LYS 25 -10.394 1.062 0.129 200 HA LYS 25 HA LYS 25 -12.630 1.657 1.974 201 HB2 LYS 25 2HB LYS 25 -10.004 3.151 1.725 202 HB3 LYS 25 1HB LYS 25 -11.323 3.569 2.810 203 HG2 LYS 25 2HG LYS 25 -9.761 0.988 2.927 204 HG3 LYS 25 1HG LYS 25 -9.436 2.407 3.922 205 HD2 LYS 25 2HD LYS 25 -11.687 2.246 4.889 206 HD3 LYS 25 1HD LYS 25 -12.016 0.829 3.890 207 HE2 LYS 25 2HE LYS 25 -11.396 0.235 6.208 208 HE3 LYS 25 1HE LYS 25 -10.276 -0.423 5.018 209 HZ1 LYS 25 3HZ LYS 25 -8.685 1.245 5.548 210 HZ2 LYS 25 1HZ LYS 25 -9.197 0.566 7.009 211 HZ3 LYS 25 2HZ LYS 25 -9.774 2.082 6.534 212 H LYS 26 H LYS 26 -13.856 3.544 1.566 213 HA LYS 26 HA LYS 26 -13.282 4.989 -0.934 214 HB2 LYS 26 2HB LYS 26 -15.756 5.094 -1.360 215 HB3 LYS 26 1HB LYS 26 -15.049 3.494 -1.522 216 HG2 LYS 26 2HG LYS 26 -15.898 2.889 0.691 217 HG3 LYS 26 1HG LYS 26 -16.596 4.499 0.865 218 HD2 LYS 26 2HD LYS 26 -18.367 3.054 0.206 219 HD3 LYS 26 1HD LYS 26 -17.960 4.025 -1.205 220 HE2 LYS 26 2HE LYS 26 -16.873 1.246 -0.753 221 HE3 LYS 26 1HE LYS 26 -18.379 1.555 -1.610 222 HZ1 LYS 26 3HZ LYS 26 -17.121 2.893 -3.212 223 HZ2 LYS 26 1HZ LYS 26 -16.571 1.294 -3.151 224 HZ3 LYS 26 2HZ LYS 26 -15.684 2.518 -2.399 225 H VAL 27 H VAL 27 -13.053 7.102 -0.597 226 HA VAL 27 HA VAL 27 -14.405 8.363 1.725 227 HB VAL 27 HB VAL 27 -12.435 9.813 2.024 228 HG11 VAL 27 1HG1 VAL 27 -12.603 7.785 3.362 229 HG12 VAL 27 2HG1 VAL 27 -10.915 8.118 2.968 230 HG13 VAL 27 3HG1 VAL 27 -11.792 6.860 2.098 231 HG21 VAL 27 3HG2 VAL 27 -10.326 9.312 0.870 232 HG22 VAL 27 1HG2 VAL 27 -11.586 9.780 -0.273 233 HG23 VAL 27 2HG2 VAL 27 -11.143 8.081 -0.096 234 H LEU 28 H LEU 28 -14.162 10.921 1.483 235 HA LEU 28 HA LEU 28 -15.240 11.626 -1.151 236 HB2 LEU 28 2HB LEU 28 -15.132 13.179 1.441 237 HB3 LEU 28 1HB LEU 28 -15.793 13.813 -0.055 238 HG LEU 28 HG LEU 28 -16.882 11.443 1.485 239 HD11 LEU 28 1HD1 LEU 28 -17.257 13.600 2.608 240 HD12 LEU 28 2HD1 LEU 28 -18.758 12.889 2.016 241 HD13 LEU 28 3HD1 LEU 28 -18.010 14.226 1.139 242 HD21 LEU 28 3HD2 LEU 28 -18.763 11.562 -0.088 243 HD22 LEU 28 1HD2 LEU 28 -17.247 11.197 -0.912 244 HD23 LEU 28 2HD2 LEU 28 -17.927 12.823 -0.992 245 H GLU 29 H GLU 29 -14.592 13.802 -2.058 246 HA GLU 29 HA GLU 29 -11.795 13.847 -2.535 247 HB2 GLU 29 2HB GLU 29 -13.842 15.986 -3.173 248 HB3 GLU 29 1HB GLU 29 -12.225 15.868 -3.855 249 HG2 GLU 29 2HG GLU 29 -12.880 13.648 -4.806 250 HG3 GLU 29 1HG GLU 29 -14.528 13.977 -4.272 251 H GLY 30 H GLY 30 -10.266 14.588 -1.213 252 HA2 GLY 30 2HA GLY 30 -9.229 16.534 -0.190 253 HA3 GLY 30 1HA GLY 30 -10.816 17.019 0.388 254 H ASP 31 H ASP 31 -11.122 13.953 0.992 255 HA ASP 31 HA ASP 31 -10.232 14.147 3.732 256 HB2 ASP 31 2HB ASP 31 -11.731 12.024 2.193 257 HB3 ASP 31 1HB ASP 31 -11.283 11.835 3.887 258 H SER 32 H SER 32 -9.426 11.783 4.563 259 HA SER 32 HA SER 32 -7.050 11.082 2.952 260 HB2 SER 32 2HB SER 32 -7.147 11.420 5.962 261 HB3 SER 32 1HB SER 32 -5.743 10.893 5.034 262 HG SER 32 HG SER 32 -7.061 13.378 4.646 263 H VAL 33 H VAL 33 -6.164 8.966 3.358 264 HA VAL 33 HA VAL 33 -7.865 7.043 4.772 265 HB VAL 33 HB VAL 33 -8.626 7.152 2.365 266 HG11 VAL 33 1HG1 VAL 33 -6.439 7.578 1.335 267 HG12 VAL 33 2HG1 VAL 33 -7.216 6.158 0.637 268 HG13 VAL 33 3HG1 VAL 33 -5.901 5.960 1.799 269 HG21 VAL 33 3HG2 VAL 33 -8.704 4.725 2.051 270 HG22 VAL 33 1HG2 VAL 33 -9.018 5.162 3.730 271 HG23 VAL 33 2HG2 VAL 33 -7.441 4.520 3.266 272 H LYS 34 H LYS 34 -6.773 5.010 5.199 273 HA LYS 34 HA LYS 34 -3.923 4.921 4.524 274 HB2 LYS 34 2HB LYS 34 -3.371 4.170 6.827 275 HB3 LYS 34 1HB LYS 34 -3.928 5.833 6.746 276 HG2 LYS 34 2HG LYS 34 -6.151 5.110 7.528 277 HG3 LYS 34 1HG LYS 34 -5.553 3.454 7.648 278 HD2 LYS 34 2HD LYS 34 -3.872 4.185 9.284 279 HD3 LYS 34 1HD LYS 34 -4.477 5.838 9.169 280 HE2 LYS 34 2HE LYS 34 -5.363 4.754 11.154 281 HE3 LYS 34 1HE LYS 34 -6.666 5.072 10.010 282 HZ1 LYS 34 3HZ LYS 34 -6.708 2.834 11.070 283 HZ2 LYS 34 1HZ LYS 34 -5.294 2.451 10.227 284 HZ3 LYS 34 2HZ LYS 34 -6.719 2.804 9.383 285 H LEU 35 H LEU 35 -3.558 3.110 3.477 286 HA LEU 35 HA LEU 35 -5.197 0.732 3.962 287 HB2 LEU 35 2HB LEU 35 -3.061 1.294 1.893 288 HB3 LEU 35 1HB LEU 35 -4.011 -0.179 1.974 289 HG LEU 35 HG LEU 35 -5.094 2.595 1.427 290 HD11 LEU 35 1HD1 LEU 35 -5.517 1.747 -0.834 291 HD12 LEU 35 2HD1 LEU 35 -4.707 0.238 -0.419 292 HD13 LEU 35 3HD1 LEU 35 -3.797 1.748 -0.445 293 HD21 LEU 35 3HD2 LEU 35 -6.711 1.196 2.620 294 HD22 LEU 35 1HD2 LEU 35 -6.510 -0.076 1.415 295 HD23 LEU 35 2HD2 LEU 35 -7.211 1.476 0.952 296 H GLU 36 H GLU 36 -4.523 -0.677 5.474 297 HA GLU 36 HA GLU 36 -1.641 -0.787 6.117 298 HB2 GLU 36 2HB GLU 36 -2.392 -1.051 8.535 299 HB3 GLU 36 1HB GLU 36 -2.613 0.543 7.821 300 HG2 GLU 36 2HG GLU 36 -5.001 -0.126 7.342 301 HG3 GLU 36 1HG GLU 36 -4.715 -1.553 8.334 302 H CYS 37 H CYS 37 -0.746 -2.737 6.519 303 HA CYS 37 HA CYS 37 -2.355 -5.093 7.081 304 HB2 CYS 37 2HB CYS 37 -1.479 -6.377 5.156 305 HB3 CYS 37 1HB CYS 37 -2.471 -5.021 4.640 306 HG CYS 37 HG CYS 37 -0.073 -3.413 4.206 307 H GLN 38 H GLN 38 -0.902 -7.072 7.294 308 HA GLN 38 HA GLN 38 1.717 -6.299 8.430 309 HB2 GLN 38 2HB GLN 38 -0.117 -8.590 9.187 310 HB3 GLN 38 1HB GLN 38 1.492 -8.349 9.850 311 HG2 GLN 38 2HG GLN 38 -0.758 -6.364 10.116 312 HG3 GLN 38 1HG GLN 38 -0.375 -7.593 11.317 313 HE21 GLN 38 1HE2 GLN 38 2.511 -7.329 10.910 314 HE22 GLN 38 2HE2 GLN 38 2.958 -5.851 11.671 315 H ILE 39 H ILE 39 3.491 -7.132 7.484 316 HA ILE 39 HA ILE 39 3.222 -9.579 5.842 317 HB ILE 39 HB ILE 39 5.053 -7.224 5.307 318 HG12 ILE 39 2HG1 ILE 39 2.634 -8.242 3.785 319 HG13 ILE 39 1HG1 ILE 39 2.720 -6.744 4.707 320 HG21 ILE 39 1HG2 ILE 39 4.698 -9.793 3.756 321 HG22 ILE 39 2HG2 ILE 39 6.109 -9.348 4.715 322 HG23 ILE 39 3HG2 ILE 39 5.700 -8.427 3.269 323 HD11 ILE 39 3HD1 ILE 39 2.903 -6.326 2.325 324 HD12 ILE 39 1HD1 ILE 39 4.303 -7.392 2.226 325 HD13 ILE 39 2HD1 ILE 39 4.403 -5.891 3.146 326 H SER 40 H SER 40 4.313 -11.232 6.724 327 HA SER 40 HA SER 40 6.585 -10.704 8.506 328 HB2 SER 40 2HB SER 40 4.901 -12.277 9.326 329 HB3 SER 40 1HB SER 40 5.130 -13.297 7.907 330 HG SER 40 HG SER 40 6.640 -14.233 9.016 331 H ALA 41 H ALA 41 8.393 -10.321 7.338 332 HA ALA 41 HA ALA 41 9.353 -12.507 5.600 333 HB1 ALA 41 3HB ALA 41 8.635 -10.627 4.195 334 HB2 ALA 41 1HB ALA 41 10.374 -10.902 4.087 335 HB3 ALA 41 2HB ALA 41 9.748 -9.566 5.054 336 H ILE 42 H ILE 42 11.627 -12.836 5.570 337 HA ILE 42 HA ILE 42 13.246 -11.291 7.477 338 HB ILE 42 HB ILE 42 13.132 -14.321 7.454 339 HG12 ILE 42 2HG1 ILE 42 12.349 -12.311 9.592 340 HG13 ILE 42 1HG1 ILE 42 11.247 -13.322 8.666 341 HG21 ILE 42 1HG2 ILE 42 14.799 -14.236 9.244 342 HG22 ILE 42 2HG2 ILE 42 14.879 -12.480 9.095 343 HG23 ILE 42 3HG2 ILE 42 15.418 -13.503 7.764 344 HD11 ILE 42 3HD1 ILE 42 11.599 -14.167 10.923 345 HD12 ILE 42 1HD1 ILE 42 13.323 -14.328 10.595 346 HD13 ILE 42 2HD1 ILE 42 12.162 -15.311 9.704 347 HA PRO 43 HA PRO 43 14.678 -10.069 7.358 348 HB2 PRO 43 2HB PRO 43 16.111 -8.237 6.021 349 HB3 PRO 43 1HB PRO 43 16.897 -9.590 6.847 350 HG2 PRO 43 2HG PRO 43 16.225 -9.286 3.934 351 HG3 PRO 43 1HG PRO 43 17.737 -9.843 4.677 352 HD2 PRO 43 2HD PRO 43 15.830 -11.539 3.701 353 HD3 PRO 43 1HD PRO 43 16.929 -11.966 5.028 354 HA PRO 44 HA PRO 44 11.384 -7.386 5.873 355 HB2 PRO 44 2HB PRO 44 13.338 -5.108 5.987 356 HB3 PRO 44 1HB PRO 44 11.681 -5.195 6.599 357 HG2 PRO 44 2HG PRO 44 13.724 -5.431 8.276 358 HG3 PRO 44 1HG PRO 44 12.294 -6.467 8.458 359 HD2 PRO 44 2HD PRO 44 15.001 -7.139 7.386 360 HD3 PRO 44 1HD PRO 44 13.871 -8.147 8.314 361 HA PRO 45 HA PRO 45 12.495 -7.167 1.543 362 HB2 PRO 45 2HB PRO 45 10.042 -7.390 0.534 363 HB3 PRO 45 1HB PRO 45 10.751 -8.710 1.471 364 HG2 PRO 45 2HG PRO 45 8.681 -6.720 2.277 365 HG3 PRO 45 1HG PRO 45 8.840 -8.425 2.734 366 HD2 PRO 45 2HD PRO 45 9.686 -6.177 4.241 367 HD3 PRO 45 1HD PRO 45 10.061 -7.879 4.571 368 H LYS 46 H LYS 46 12.001 -5.903 -0.423 369 HA LYS 46 HA LYS 46 11.581 -3.087 0.143 370 HB2 LYS 46 2HB LYS 46 13.320 -3.934 -1.463 371 HB3 LYS 46 1HB LYS 46 12.021 -4.439 -2.534 372 HG2 LYS 46 2HG LYS 46 12.846 -2.358 -3.334 373 HG3 LYS 46 1HG LYS 46 11.262 -2.053 -2.611 374 HD2 LYS 46 2HD LYS 46 12.375 -1.268 -0.553 375 HD3 LYS 46 1HD LYS 46 13.947 -1.552 -1.304 376 HE2 LYS 46 2HE LYS 46 13.266 0.060 -3.107 377 HE3 LYS 46 1HE LYS 46 11.842 0.443 -2.141 378 HZ1 LYS 46 3HZ LYS 46 13.339 1.116 -0.337 379 HZ2 LYS 46 1HZ LYS 46 13.576 2.035 -1.735 380 HZ3 LYS 46 2HZ LYS 46 14.671 0.816 -1.329 381 H LEU 47 H LEU 47 9.742 -1.928 -0.279 382 HA LEU 47 HA LEU 47 7.395 -3.469 -1.172 383 HB2 LEU 47 2HB LEU 47 7.470 -0.863 0.356 384 HB3 LEU 47 1HB LEU 47 6.060 -1.868 0.064 385 HG LEU 47 HG LEU 47 8.444 -2.710 1.729 386 HD11 LEU 47 1HD1 LEU 47 5.729 -1.750 2.627 387 HD12 LEU 47 2HD1 LEU 47 7.241 -0.853 2.772 388 HD13 LEU 47 3HD1 LEU 47 7.019 -2.356 3.667 389 HD21 LEU 47 3HD2 LEU 47 7.011 -4.546 2.451 390 HD22 LEU 47 1HD2 LEU 47 7.232 -4.583 0.704 391 HD23 LEU 47 2HD2 LEU 47 5.721 -3.981 1.390 392 H PHE 48 H PHE 48 6.509 -3.032 -3.098 393 HA PHE 48 HA PHE 48 6.821 -0.324 -4.253 394 HB2 PHE 48 2HB PHE 48 6.588 -2.963 -5.730 395 HB3 PHE 48 1HB PHE 48 6.646 -1.378 -6.491 396 HD1 PHE 48 HD1 PHE 48 8.736 0.032 -6.174 397 HD2 PHE 48 HD2 PHE 48 8.561 -4.115 -5.203 398 HE1 PHE 48 HE1 PHE 48 11.191 -0.090 -6.249 399 HE2 PHE 48 HE2 PHE 48 11.016 -4.234 -5.276 400 HZ PHE 48 HZ PHE 48 12.336 -2.223 -5.796 401 H TRP 49 H TRP 49 4.981 0.757 -4.738 402 HA TRP 49 HA TRP 49 2.432 -0.740 -4.732 403 HB2 TRP 49 2HB TRP 49 3.059 2.054 -3.785 404 HB3 TRP 49 1HB TRP 49 1.415 1.550 -4.160 405 HD1 TRP 49 HD1 TRP 49 4.241 0.861 -1.635 406 HE1 TRP 49 HE1 TRP 49 3.210 -0.250 0.444 407 HE3 TRP 49 HE3 TRP 49 -0.531 0.188 -3.344 408 HZ2 TRP 49 HZ2 TRP 49 0.709 -1.266 1.263 409 HZ3 TRP 49 HZ3 TRP 49 -2.183 -0.857 -1.849 410 HH2 TRP 49 HH2 TRP 49 -1.575 -1.570 0.407 411 H LYS 50 H LYS 50 1.198 -0.688 -6.485 412 HA LYS 50 HA LYS 50 1.839 1.244 -8.636 413 HB2 LYS 50 2HB LYS 50 2.602 -0.979 -9.229 414 HB3 LYS 50 1HB LYS 50 1.042 -1.674 -8.813 415 HG2 LYS 50 2HG LYS 50 0.007 -0.527 -10.695 416 HG3 LYS 50 1HG LYS 50 1.542 0.252 -11.083 417 HD2 LYS 50 2HD LYS 50 1.195 -1.645 -12.554 418 HD3 LYS 50 1HD LYS 50 2.549 -1.974 -11.471 419 HE2 LYS 50 2HE LYS 50 1.148 -3.945 -11.688 420 HE3 LYS 50 1HE LYS 50 1.056 -3.319 -10.044 421 HZ1 LYS 50 3HZ LYS 50 -0.971 -2.850 -12.168 422 HZ2 LYS 50 1HZ LYS 50 -1.063 -2.312 -10.568 423 HZ3 LYS 50 2HZ LYS 50 -1.121 -3.966 -10.908 424 H ARG 51 H ARG 51 0.173 2.507 -9.296 425 HA ARG 51 HA ARG 51 -2.597 1.723 -8.595 426 HB2 ARG 51 2HB ARG 51 -2.012 3.782 -7.485 427 HB3 ARG 51 1HB ARG 51 -1.346 4.453 -8.971 428 HG2 ARG 51 2HG ARG 51 -3.691 4.297 -9.936 429 HG3 ARG 51 1HG ARG 51 -4.242 3.960 -8.293 430 HD2 ARG 51 2HD ARG 51 -3.502 6.090 -7.523 431 HD3 ARG 51 1HD ARG 51 -2.618 6.400 -9.017 432 HE ARG 51 HE ARG 51 -5.516 6.544 -8.638 433 HH11 ARG 51 1HH1 ARG 51 -2.774 6.919 -10.692 434 HH12 ARG 51 2HH1 ARG 51 -3.638 7.834 -11.870 435 HH21 ARG 51 1HH2 ARG 51 -6.618 7.737 -10.184 436 HH22 ARG 51 2HH2 ARG 51 -5.775 8.305 -11.577 437 H ASN 52 H ASN 52 -3.768 1.042 -10.317 438 HA ASN 52 HA ASN 52 -4.499 0.740 -12.458 439 HB2 ASN 52 2HB ASN 52 -3.894 3.708 -12.512 440 HB3 ASN 52 1HB ASN 52 -4.761 2.869 -13.794 441 HD21 ASN 52 1HD2 ASN 52 -6.611 4.068 -13.464 442 HD22 ASN 52 2HD2 ASN 52 -7.637 3.830 -12.096 443 H ASN 53 H ASN 53 -1.802 0.077 -12.030 444 HA ASN 53 HA ASN 53 -0.053 -0.730 -13.211 445 HB2 ASN 53 2HB ASN 53 -1.411 0.500 -15.616 446 HB3 ASN 53 1HB ASN 53 0.016 -0.534 -15.688 447 HD21 ASN 53 1HD2 ASN 53 -2.715 -0.923 -16.737 448 HD22 ASN 53 2HD2 ASN 53 -3.237 -2.433 -16.079 449 H GLU 54 H GLU 54 -0.603 2.443 -12.625 450 HA GLU 54 HA GLU 54 1.954 3.411 -13.650 451 HB2 GLU 54 2HB GLU 54 -0.066 4.799 -11.865 452 HB3 GLU 54 1HB GLU 54 1.338 5.551 -12.609 453 HG2 GLU 54 2HG GLU 54 0.368 5.070 -14.832 454 HG3 GLU 54 1HG GLU 54 -1.071 4.433 -14.036 455 H MET 55 H MET 55 3.747 3.887 -12.363 456 HA MET 55 HA MET 55 3.972 2.503 -9.842 457 HB2 MET 55 2HB MET 55 5.826 2.662 -11.523 458 HB3 MET 55 1HB MET 55 5.949 4.378 -11.165 459 HG2 MET 55 2HG MET 55 7.608 3.601 -9.820 460 HG3 MET 55 1HG MET 55 6.262 3.477 -8.692 461 HE1 MET 55 3HE MET 55 5.139 1.225 -7.947 462 HE2 MET 55 1HE MET 55 5.533 -0.358 -8.620 463 HE3 MET 55 2HE MET 55 4.693 0.834 -9.609 464 H VAL 56 H VAL 56 3.372 3.349 -7.915 465 HA VAL 56 HA VAL 56 2.545 6.087 -7.695 466 HB VAL 56 HB VAL 56 2.807 3.993 -5.521 467 HG11 VAL 56 1HG1 VAL 56 1.320 6.628 -5.529 468 HG12 VAL 56 2HG1 VAL 56 2.761 6.243 -4.587 469 HG13 VAL 56 3HG1 VAL 56 1.243 5.410 -4.253 470 HG21 VAL 56 3HG2 VAL 56 0.404 4.823 -7.164 471 HG22 VAL 56 1HG2 VAL 56 0.381 3.692 -5.810 472 HG23 VAL 56 2HG2 VAL 56 1.268 3.289 -7.280 473 H GLN 57 H GLN 57 3.899 7.742 -7.423 474 HA GLN 57 HA GLN 57 6.485 7.379 -6.132 475 HB2 GLN 57 2HB GLN 57 5.219 9.812 -7.414 476 HB3 GLN 57 1HB GLN 57 6.856 9.750 -6.779 477 HG2 GLN 57 2HG GLN 57 5.831 8.013 -9.022 478 HG3 GLN 57 1HG GLN 57 6.715 9.523 -9.243 479 HE21 GLN 57 1HE2 GLN 57 8.890 9.611 -8.674 480 HE22 GLN 57 2HE2 GLN 57 9.844 8.180 -8.489 481 H PHE 58 H PHE 58 6.656 7.543 -3.993 482 HA PHE 58 HA PHE 58 4.654 8.884 -2.381 483 HB2 PHE 58 2HB PHE 58 7.244 7.643 -1.425 484 HB3 PHE 58 1HB PHE 58 5.764 7.894 -0.504 485 HD1 PHE 58 HD1 PHE 58 3.712 6.546 -1.131 486 HD2 PHE 58 HD2 PHE 58 7.599 5.659 -2.629 487 HE1 PHE 58 HE1 PHE 58 2.960 4.288 -1.749 488 HE2 PHE 58 HE2 PHE 58 6.850 3.400 -3.244 489 HZ PHE 58 HZ PHE 58 4.527 2.712 -2.809 490 H ASN 59 H ASN 59 6.459 10.448 -4.172 491 HA ASN 59 HA ASN 59 8.350 11.828 -2.503 492 HB2 ASN 59 2HB ASN 59 9.028 12.978 -4.463 493 HB3 ASN 59 1HB ASN 59 8.664 11.331 -4.957 494 HD21 ASN 59 1HD2 ASN 59 5.728 11.814 -4.909 495 HD22 ASN 59 2HD2 ASN 59 5.411 12.758 -6.311 496 H THR 60 H THR 60 5.031 12.258 -2.748 497 HA THR 60 HA THR 60 5.246 15.205 -2.572 498 HB THR 60 HB THR 60 3.948 14.456 -4.519 499 HG1 THR 60 HG1 THR 60 3.192 16.384 -3.896 500 HG21 THR 60 3HG2 THR 60 2.079 13.240 -2.473 501 HG22 THR 60 1HG2 THR 60 3.051 12.358 -3.652 502 HG23 THR 60 2HG2 THR 60 1.739 13.404 -4.196 503 H ASP 61 H ASP 61 3.247 16.183 -1.443 504 HA ASP 61 HA ASP 61 3.421 15.475 1.308 505 HB2 ASP 61 2HB ASP 61 3.145 17.792 0.467 506 HB3 ASP 61 1HB ASP 61 1.525 17.386 -0.090 507 H ARG 62 H ARG 62 1.076 14.805 -1.205 508 HA ARG 62 HA ARG 62 -1.043 13.985 0.551 509 HB2 ARG 62 2HB ARG 62 -0.607 13.644 -2.415 510 HB3 ARG 62 1HB ARG 62 -2.043 13.061 -1.584 511 HG2 ARG 62 2HG ARG 62 -2.559 15.364 -0.891 512 HG3 ARG 62 1HG ARG 62 -1.139 15.936 -1.775 513 HD2 ARG 62 2HD ARG 62 -2.059 15.198 -3.862 514 HD3 ARG 62 1HD ARG 62 -3.387 14.378 -3.045 515 HE ARG 62 HE ARG 62 -3.514 17.077 -2.371 516 HH11 ARG 62 1HH1 ARG 62 -3.855 15.065 -5.142 517 HH12 ARG 62 2HH1 ARG 62 -4.984 16.121 -5.912 518 HH21 ARG 62 1HH2 ARG 62 -4.976 18.412 -3.333 519 HH22 ARG 62 2HH2 ARG 62 -5.617 18.013 -4.890 520 H ILE 63 H ILE 63 1.656 12.339 -0.953 521 HA ILE 63 HA ILE 63 0.467 9.723 -0.243 522 HB ILE 63 HB ILE 63 2.486 10.270 -2.432 523 HG12 ILE 63 2HG1 ILE 63 0.295 11.217 -3.009 524 HG13 ILE 63 1HG1 ILE 63 0.640 9.805 -4.003 525 HG21 ILE 63 1HG2 ILE 63 2.020 7.950 -3.122 526 HG22 ILE 63 2HG2 ILE 63 0.983 7.749 -1.710 527 HG23 ILE 63 3HG2 ILE 63 2.710 8.035 -1.500 528 HD11 ILE 63 3HD1 ILE 63 -1.671 9.832 -3.297 529 HD12 ILE 63 1HD1 ILE 63 -1.179 9.884 -1.604 530 HD13 ILE 63 2HD1 ILE 63 -0.828 8.459 -2.582 531 H SER 64 H SER 64 1.484 8.589 1.272 532 HA SER 64 HA SER 64 4.402 8.731 1.533 533 HB2 SER 64 2HB SER 64 2.487 9.293 3.812 534 HB3 SER 64 1HB SER 64 4.194 8.922 4.042 535 HG SER 64 HG SER 64 3.773 10.916 2.206 536 H LEU 65 H LEU 65 5.344 6.875 2.425 537 HA LEU 65 HA LEU 65 3.542 4.667 3.184 538 HB2 LEU 65 2HB LEU 65 4.113 4.320 0.840 539 HB3 LEU 65 1HB LEU 65 5.819 4.513 1.199 540 HG LEU 65 HG LEU 65 5.671 2.446 2.635 541 HD11 LEU 65 1HD1 LEU 65 3.284 2.434 3.056 542 HD12 LEU 65 2HD1 LEU 65 3.779 0.932 2.278 543 HD13 LEU 65 3HD1 LEU 65 2.958 2.183 1.341 544 HD21 LEU 65 3HD2 LEU 65 5.682 0.884 0.732 545 HD22 LEU 65 1HD2 LEU 65 6.627 2.338 0.416 546 HD23 LEU 65 2HD2 LEU 65 5.025 2.155 -0.299 547 H TYR 66 H TYR 66 4.222 3.546 4.951 548 HA TYR 66 HA TYR 66 7.092 3.497 5.562 549 HB2 TYR 66 2HB TYR 66 6.864 4.177 7.821 550 HB3 TYR 66 1HB TYR 66 5.948 5.353 6.890 551 HD1 TYR 66 HD1 TYR 66 5.733 2.582 9.287 552 HD2 TYR 66 HD2 TYR 66 3.505 5.482 7.100 553 HE1 TYR 66 HE1 TYR 66 3.787 2.155 10.719 554 HE2 TYR 66 HE2 TYR 66 1.548 5.058 8.533 555 HH TYR 66 HH TYR 66 0.663 3.258 9.976 556 H GLN 67 H GLN 67 7.752 1.741 6.883 557 HA GLN 67 HA GLN 67 5.693 -0.300 7.415 558 HB2 GLN 67 2HB GLN 67 7.400 -2.048 7.071 559 HB3 GLN 67 1HB GLN 67 7.126 -1.103 5.618 560 HG2 GLN 67 2HG GLN 67 9.187 0.084 5.913 561 HG3 GLN 67 1HG GLN 67 9.422 -0.629 7.508 562 HE21 GLN 67 1HE2 GLN 67 9.564 -1.211 4.076 563 HE22 GLN 67 2HE2 GLN 67 10.427 -2.700 4.170 564 H ASP 68 H ASP 68 5.448 -0.779 9.488 565 HA ASP 68 HA ASP 68 7.174 0.410 11.473 566 HB2 ASP 68 2HB ASP 68 4.672 0.321 11.659 567 HB3 ASP 68 1HB ASP 68 4.790 -1.422 11.875 568 H ASN 69 H ASN 69 8.076 -0.833 13.300 569 HA ASN 69 HA ASN 69 9.791 -2.882 12.458 570 HB2 ASN 69 2HB ASN 69 8.970 -2.202 15.291 571 HB3 ASN 69 1HB ASN 69 10.398 -3.124 14.825 572 HD21 ASN 69 1HD2 ASN 69 8.970 0.001 15.059 573 HD22 ASN 69 2HD2 ASN 69 10.378 0.906 14.641 574 H THR 70 H THR 70 6.550 -3.067 13.720 575 HA THR 70 HA THR 70 6.640 -5.894 14.312 576 HB THR 70 HB THR 70 5.041 -4.418 15.474 577 HG1 THR 70 HG1 THR 70 4.331 -6.730 14.131 578 HG21 THR 70 3HG2 THR 70 3.630 -4.230 12.805 579 HG22 THR 70 1HG2 THR 70 4.514 -2.920 13.586 580 HG23 THR 70 2HG2 THR 70 3.058 -3.572 14.338 581 H GLY 71 H GLY 71 6.896 -4.410 11.434 582 HA2 GLY 71 2HA GLY 71 6.819 -5.354 9.310 583 HA3 GLY 71 1HA GLY 71 5.930 -6.716 9.971 584 H ARG 72 H ARG 72 4.829 -3.444 10.534 585 HA ARG 72 HA ARG 72 2.388 -4.063 9.053 586 HB2 ARG 72 2HB ARG 72 2.286 -3.123 11.377 587 HB3 ARG 72 1HB ARG 72 2.973 -1.628 10.755 588 HG2 ARG 72 2HG ARG 72 1.030 -1.382 9.254 589 HG3 ARG 72 1HG ARG 72 0.339 -2.853 9.933 590 HD2 ARG 72 2HD ARG 72 -0.718 -1.015 11.014 591 HD3 ARG 72 1HD ARG 72 0.392 -1.734 12.180 592 HE ARG 72 HE ARG 72 1.018 0.714 10.653 593 HH11 ARG 72 1HH1 ARG 72 1.078 -1.112 13.584 594 HH12 ARG 72 2HH1 ARG 72 1.800 0.175 14.491 595 HH21 ARG 72 1HH2 ARG 72 1.932 2.353 11.842 596 HH22 ARG 72 2HH2 ARG 72 2.293 2.094 13.516 597 H VAL 73 H VAL 73 2.310 -3.539 6.964 598 HA VAL 73 HA VAL 73 3.782 -1.215 5.952 599 HB VAL 73 HB VAL 73 2.222 -3.344 4.455 600 HG11 VAL 73 1HG1 VAL 73 4.029 -1.157 3.398 601 HG12 VAL 73 2HG1 VAL 73 2.277 -1.241 3.212 602 HG13 VAL 73 3HG1 VAL 73 3.301 -2.446 2.436 603 HG21 VAL 73 3HG2 VAL 73 4.456 -4.166 3.781 604 HG22 VAL 73 1HG2 VAL 73 4.194 -4.272 5.523 605 HG23 VAL 73 2HG2 VAL 73 5.198 -2.983 4.859 606 H THR 74 H THR 74 2.763 0.690 5.968 607 HA THR 74 HA THR 74 -0.170 0.747 5.563 608 HB THR 74 HB THR 74 1.447 2.598 7.343 609 HG1 THR 74 HG1 THR 74 -0.458 1.246 8.652 610 HG21 THR 74 3HG2 THR 74 -0.469 3.749 6.375 611 HG22 THR 74 1HG2 THR 74 -0.775 3.416 8.081 612 HG23 THR 74 2HG2 THR 74 -1.535 2.421 6.838 613 H LEU 75 H LEU 75 -0.665 1.694 3.696 614 HA LEU 75 HA LEU 75 1.019 3.790 2.545 615 HB2 LEU 75 2HB LEU 75 0.217 2.017 1.062 616 HB3 LEU 75 1HB LEU 75 -1.445 2.387 1.484 617 HG LEU 75 HG LEU 75 -1.180 4.633 0.434 618 HD11 LEU 75 1HD1 LEU 75 0.744 5.061 -1.012 619 HD12 LEU 75 2HD1 LEU 75 1.499 3.565 -0.461 620 HD13 LEU 75 3HD1 LEU 75 1.229 4.887 0.674 621 HD21 LEU 75 3HD2 LEU 75 -0.561 2.301 -1.383 622 HD22 LEU 75 1HD2 LEU 75 -1.238 3.852 -1.879 623 HD23 LEU 75 2HD2 LEU 75 -2.163 2.786 -0.823 624 H LEU 76 H LEU 76 0.620 5.863 2.955 625 HA LEU 76 HA LEU 76 -2.004 6.684 4.012 626 HB2 LEU 76 2HB LEU 76 0.654 8.134 4.066 627 HB3 LEU 76 1HB LEU 76 -0.825 8.678 4.837 628 HG LEU 76 HG LEU 76 0.675 6.152 5.570 629 HD11 LEU 76 1HD1 LEU 76 1.323 7.367 7.597 630 HD12 LEU 76 2HD1 LEU 76 0.563 8.829 6.964 631 HD13 LEU 76 3HD1 LEU 76 1.962 8.134 6.144 632 HD21 LEU 76 3HD2 LEU 76 -0.809 6.101 7.512 633 HD22 LEU 76 1HD2 LEU 76 -1.729 6.012 6.010 634 HD23 LEU 76 2HD2 LEU 76 -1.659 7.526 6.914 635 H ILE 77 H ILE 77 -3.359 7.782 2.737 636 HA ILE 77 HA ILE 77 -2.259 9.440 0.551 637 HB ILE 77 HB ILE 77 -4.723 7.681 0.390 638 HG12 ILE 77 2HG1 ILE 77 -2.090 7.550 -1.114 639 HG13 ILE 77 1HG1 ILE 77 -2.574 6.461 0.182 640 HG21 ILE 77 1HG2 ILE 77 -5.068 9.791 -0.788 641 HG22 ILE 77 2HG2 ILE 77 -4.914 8.457 -1.930 642 HG23 ILE 77 3HG2 ILE 77 -3.561 9.559 -1.674 643 HD11 ILE 77 3HD1 ILE 77 -3.902 6.734 -2.505 644 HD12 ILE 77 1HD1 ILE 77 -4.431 5.667 -1.205 645 HD13 ILE 77 2HD1 ILE 77 -2.863 5.413 -1.970 646 H LYS 78 H LYS 78 -2.706 11.498 0.980 647 HA LYS 78 HA LYS 78 -5.194 12.209 2.413 648 HB2 LYS 78 2HB LYS 78 -2.542 13.660 2.245 649 HB3 LYS 78 1HB LYS 78 -3.971 14.296 3.047 650 HG2 LYS 78 2HG LYS 78 -3.908 12.509 4.675 651 HG3 LYS 78 1HG LYS 78 -2.553 11.751 3.827 652 HD2 LYS 78 2HD LYS 78 -1.121 13.626 4.321 653 HD3 LYS 78 1HD LYS 78 -2.473 14.535 5.004 654 HE2 LYS 78 2HE LYS 78 -1.358 11.956 6.112 655 HE3 LYS 78 1HE LYS 78 -1.022 13.569 6.737 656 HZ1 LYS 78 3HZ LYS 78 -3.409 13.824 7.175 657 HZ2 LYS 78 1HZ LYS 78 -2.740 12.528 8.032 658 HZ3 LYS 78 2HZ LYS 78 -3.673 12.237 6.656 659 H ASP 79 H ASP 79 -6.341 14.112 1.790 660 HA ASP 79 HA ASP 79 -7.179 15.729 0.426 661 HB2 ASP 79 2HB ASP 79 -4.820 16.571 0.918 662 HB3 ASP 79 1HB ASP 79 -4.371 15.975 -0.675 663 H VAL 80 H VAL 80 -7.159 12.975 -0.529 664 HA VAL 80 HA VAL 80 -6.509 12.920 -3.325 665 HB VAL 80 HB VAL 80 -6.415 10.950 -1.748 666 HG11 VAL 80 1HG1 VAL 80 -9.408 10.945 -2.117 667 HG12 VAL 80 2HG1 VAL 80 -8.550 11.280 -0.612 668 HG13 VAL 80 3HG1 VAL 80 -8.458 9.676 -1.341 669 HG21 VAL 80 3HG2 VAL 80 -8.040 10.568 -4.259 670 HG22 VAL 80 1HG2 VAL 80 -7.150 9.310 -3.400 671 HG23 VAL 80 2HG2 VAL 80 -6.281 10.642 -4.158 672 H ASN 81 H ASN 81 -7.907 12.992 -5.115 673 HA ASN 81 HA ASN 81 -10.755 13.534 -4.528 674 HB2 ASN 81 2HB ASN 81 -10.781 14.998 -6.575 675 HB3 ASN 81 1HB ASN 81 -9.869 15.623 -5.211 676 HD21 ASN 81 1HD2 ASN 81 -8.641 13.131 -7.389 677 HD22 ASN 81 2HD2 ASN 81 -7.411 14.119 -8.074 678 H LYS 82 H LYS 82 -12.051 13.396 -6.763 679 HA LYS 82 HA LYS 82 -12.484 10.732 -7.249 680 HB2 LYS 82 2HB LYS 82 -13.017 13.122 -9.014 681 HB3 LYS 82 1HB LYS 82 -13.620 11.513 -9.391 682 HG2 LYS 82 2HG LYS 82 -14.205 12.832 -6.756 683 HG3 LYS 82 1HG LYS 82 -15.186 13.146 -8.186 684 HD2 LYS 82 2HD LYS 82 -14.661 10.306 -7.422 685 HD3 LYS 82 1HD LYS 82 -15.807 11.236 -6.457 686 HE2 LYS 82 2HE LYS 82 -16.879 9.947 -8.284 687 HE3 LYS 82 1HE LYS 82 -17.168 11.681 -8.388 688 HZ1 LYS 82 3HZ LYS 82 -16.648 10.651 -10.533 689 HZ2 LYS 82 1HZ LYS 82 -15.116 10.215 -9.958 690 HZ3 LYS 82 2HZ LYS 82 -15.536 11.852 -10.113 691 H LYS 83 H LYS 83 -10.237 12.814 -8.991 692 HA LYS 83 HA LYS 83 -9.773 11.113 -11.198 693 HB2 LYS 83 2HB LYS 83 -7.975 13.230 -9.997 694 HB3 LYS 83 1HB LYS 83 -7.767 12.509 -11.586 695 HG2 LYS 83 2HG LYS 83 -10.125 14.167 -10.695 696 HG3 LYS 83 1HG LYS 83 -8.806 14.709 -11.733 697 HD2 LYS 83 2HD LYS 83 -10.762 12.492 -12.375 698 HD3 LYS 83 1HD LYS 83 -10.812 14.127 -13.036 699 HE2 LYS 83 2HE LYS 83 -8.653 13.777 -14.113 700 HE3 LYS 83 1HE LYS 83 -8.539 12.166 -13.403 701 HZ1 LYS 83 3HZ LYS 83 -10.517 13.088 -15.418 702 HZ2 LYS 83 1HZ LYS 83 -10.577 11.585 -14.651 703 HZ3 LYS 83 2HZ LYS 83 -9.271 11.970 -15.650 704 H ASP 84 H ASP 84 -8.582 10.923 -7.951 705 HA ASP 84 HA ASP 84 -6.168 9.473 -8.741 706 HB2 ASP 84 2HB ASP 84 -7.058 10.345 -5.986 707 HB3 ASP 84 1HB ASP 84 -5.484 9.675 -6.410 708 H ALA 85 H ALA 85 -9.289 8.514 -8.178 709 HA ALA 85 HA ALA 85 -8.752 6.309 -6.381 710 HB1 ALA 85 3HB ALA 85 -11.079 5.671 -6.797 711 HB2 ALA 85 1HB ALA 85 -11.186 6.874 -8.083 712 HB3 ALA 85 2HB ALA 85 -10.950 7.387 -6.412 713 H GLY 86 H GLY 86 -8.673 4.083 -6.912 714 HA2 GLY 86 2HA GLY 86 -8.887 2.998 -9.487 715 HA3 GLY 86 1HA GLY 86 -7.225 3.519 -9.276 716 H TRP 87 H TRP 87 -7.103 1.092 -9.734 717 HA TRP 87 HA TRP 87 -7.280 -0.494 -7.267 718 HB2 TRP 87 2HB TRP 87 -6.917 -1.182 -10.170 719 HB3 TRP 87 1HB TRP 87 -6.394 -2.324 -8.933 720 HD1 TRP 87 HD1 TRP 87 -9.561 -0.825 -10.474 721 HE1 TRP 87 HE1 TRP 87 -11.587 -2.207 -9.680 722 HE3 TRP 87 HE3 TRP 87 -7.231 -3.765 -6.992 723 HZ2 TRP 87 HZ2 TRP 87 -12.121 -4.267 -7.828 724 HZ3 TRP 87 HZ3 TRP 87 -8.571 -5.416 -5.752 725 HH2 TRP 87 HH2 TRP 87 -10.969 -5.660 -6.162 726 H TYR 88 H TYR 88 -5.584 -0.591 -5.976 727 HA TYR 88 HA TYR 88 -2.918 0.069 -6.971 728 HB2 TYR 88 2HB TYR 88 -4.040 -0.195 -4.174 729 HB3 TYR 88 1HB TYR 88 -2.323 0.025 -4.495 730 HD1 TYR 88 HD1 TYR 88 -5.641 1.605 -5.183 731 HD2 TYR 88 HD2 TYR 88 -1.453 2.178 -4.665 732 HE1 TYR 88 HE1 TYR 88 -5.966 4.041 -5.277 733 HE2 TYR 88 HE2 TYR 88 -1.768 4.613 -4.750 734 HH TYR 88 HH TYR 88 -4.843 6.085 -4.557 735 H THR 89 H THR 89 -1.104 -1.243 -6.551 736 HA THR 89 HA THR 89 -1.624 -4.069 -5.879 737 HB THR 89 HB THR 89 0.134 -3.113 -8.164 738 HG1 THR 89 HG1 THR 89 -2.385 -4.450 -8.135 739 HG21 THR 89 3HG2 THR 89 -0.509 -5.917 -7.227 740 HG22 THR 89 1HG2 THR 89 1.055 -5.112 -7.102 741 HG23 THR 89 2HG2 THR 89 0.390 -5.507 -8.688 742 H VAL 90 H VAL 90 -0.382 -4.639 -4.182 743 HA VAL 90 HA VAL 90 2.112 -3.151 -3.696 744 HB VAL 90 HB VAL 90 0.572 -3.063 -1.832 745 HG11 VAL 90 1HG1 VAL 90 0.682 -6.082 -1.800 746 HG12 VAL 90 2HG1 VAL 90 -0.711 -5.096 -2.245 747 HG13 VAL 90 3HG1 VAL 90 -0.102 -5.067 -0.589 748 HG21 VAL 90 3HG2 VAL 90 2.921 -4.878 -1.240 749 HG22 VAL 90 1HG2 VAL 90 2.031 -3.927 -0.048 750 HG23 VAL 90 2HG2 VAL 90 2.958 -3.115 -1.309 751 H SER 91 H SER 91 3.991 -4.074 -4.075 752 HA SER 91 HA SER 91 4.185 -7.024 -4.096 753 HB2 SER 91 2HB SER 91 5.610 -5.005 -5.845 754 HB3 SER 91 1HB SER 91 6.081 -6.700 -5.738 755 HG SER 91 HG SER 91 3.947 -5.531 -7.039 756 H ALA 92 H ALA 92 5.367 -7.775 -2.477 757 HA ALA 92 HA ALA 92 7.552 -6.121 -1.375 758 HB1 ALA 92 3HB ALA 92 6.126 -8.462 -0.101 759 HB2 ALA 92 1HB ALA 92 5.799 -6.761 0.231 760 HB3 ALA 92 2HB ALA 92 7.364 -7.456 0.653 761 H VAL 93 H VAL 93 9.541 -6.683 -2.070 762 HA VAL 93 HA VAL 93 9.985 -9.494 -2.860 763 HB VAL 93 HB VAL 93 10.131 -8.030 -4.778 764 HG11 VAL 93 1HG1 VAL 93 12.293 -6.540 -3.282 765 HG12 VAL 93 2HG1 VAL 93 10.683 -5.930 -3.668 766 HG13 VAL 93 3HG1 VAL 93 11.831 -6.272 -4.963 767 HG21 VAL 93 3HG2 VAL 93 11.620 -9.947 -4.752 768 HG22 VAL 93 1HG2 VAL 93 12.854 -9.010 -3.906 769 HG23 VAL 93 2HG2 VAL 93 12.401 -8.588 -5.558 770 H ASN 94 H ASN 94 11.127 -10.587 -1.450 771 HA ASN 94 HA ASN 94 13.499 -9.356 -0.173 772 HB2 ASN 94 2HB ASN 94 11.818 -10.208 1.428 773 HB3 ASN 94 1HB ASN 94 11.893 -11.796 0.673 774 HD21 ASN 94 1HD2 ASN 94 12.524 -12.761 2.614 775 HD22 ASN 94 2HD2 ASN 94 14.108 -12.549 3.268 776 H GLU 95 H GLU 95 15.479 -10.749 -0.106 777 HA GLU 95 HA GLU 95 16.074 -11.907 -2.585 778 HB2 GLU 95 2HB GLU 95 18.144 -12.700 -1.614 779 HB3 GLU 95 1HB GLU 95 17.794 -11.086 -1.014 780 HG2 GLU 95 2HG GLU 95 17.093 -11.954 1.111 781 HG3 GLU 95 1HG GLU 95 17.204 -13.612 0.521 782 H ALA 96 H ALA 96 14.675 -13.341 0.268 783 HA ALA 96 HA ALA 96 15.026 -16.075 -0.456 784 HB1 ALA 96 3HB ALA 96 12.955 -14.851 1.367 785 HB2 ALA 96 1HB ALA 96 14.581 -15.338 1.845 786 HB3 ALA 96 2HB ALA 96 13.423 -16.552 1.303 787 H GLY 97 H GLY 97 12.612 -13.662 -1.279 788 HA2 GLY 97 2HA GLY 97 11.531 -14.940 -3.471 789 HA3 GLY 97 1HA GLY 97 10.564 -15.487 -2.108 790 H VAL 98 H VAL 98 9.104 -14.247 -3.878 791 HA VAL 98 HA VAL 98 8.736 -11.496 -2.861 792 HB VAL 98 HB VAL 98 9.792 -11.405 -5.081 793 HG11 VAL 98 1HG1 VAL 98 8.586 -12.158 -7.084 794 HG12 VAL 98 2HG1 VAL 98 7.342 -12.878 -6.061 795 HG13 VAL 98 3HG1 VAL 98 8.990 -13.502 -6.016 796 HG21 VAL 98 3HG2 VAL 98 8.190 -9.895 -6.166 797 HG22 VAL 98 1HG2 VAL 98 8.283 -9.603 -4.429 798 HG23 VAL 98 2HG2 VAL 98 6.912 -10.484 -5.103 799 H THR 99 H THR 99 6.592 -10.696 -2.834 800 HA THR 99 HA THR 99 4.427 -12.535 -3.590 801 HB THR 99 HB THR 99 4.805 -12.854 -1.147 802 HG1 THR 99 HG1 THR 99 2.594 -12.563 -0.607 803 HG21 THR 99 3HG2 THR 99 5.590 -10.587 -0.604 804 HG22 THR 99 1HG2 THR 99 4.226 -11.060 0.412 805 HG23 THR 99 2HG2 THR 99 3.978 -9.953 -0.938 806 H THR 100 H THR 100 2.511 -11.525 -4.210 807 HA THR 100 HA THR 100 2.495 -8.578 -4.294 808 HB THR 100 HB THR 100 2.023 -10.342 -6.719 809 HG1 THR 100 HG1 THR 100 4.031 -8.354 -6.430 810 HG21 THR 100 3HG2 THR 100 1.952 -7.329 -6.448 811 HG22 THR 100 1HG2 THR 100 0.560 -8.377 -6.725 812 HG23 THR 100 2HG2 THR 100 1.812 -8.231 -7.958 813 H CYS 101 H CYS 101 0.532 -7.673 -3.951 814 HA CYS 101 HA CYS 101 -1.893 -9.315 -4.283 815 HB2 CYS 101 2HB CYS 101 -1.271 -9.397 -1.899 816 HB3 CYS 101 1HB CYS 101 -1.296 -7.637 -1.831 817 HG CYS 101 HG CYS 101 -3.746 -9.735 -1.350 818 H ASN 102 H ASN 102 -3.919 -7.940 -4.080 819 HA ASN 102 HA ASN 102 -3.481 -5.305 -5.353 820 HB2 ASN 102 2HB ASN 102 -5.565 -7.408 -5.979 821 HB3 ASN 102 1HB ASN 102 -5.639 -5.755 -6.588 822 HD21 ASN 102 1HD2 ASN 102 -4.322 -5.154 -8.246 823 HD22 ASN 102 2HD2 ASN 102 -3.302 -6.256 -9.101 824 H THR 103 H THR 103 -4.799 -3.611 -4.747 825 HA THR 103 HA THR 103 -6.855 -4.055 -2.700 826 HB THR 103 HB THR 103 -4.620 -2.045 -2.298 827 HG1 THR 103 HG1 THR 103 -4.912 -4.713 -1.493 828 HG21 THR 103 3HG2 THR 103 -6.746 -1.400 -1.257 829 HG22 THR 103 1HG2 THR 103 -5.554 -1.839 -0.033 830 HG23 THR 103 2HG2 THR 103 -6.838 -2.970 -0.457 831 H ARG 104 H ARG 104 -8.610 -2.833 -3.119 832 HA ARG 104 HA ARG 104 -8.446 -0.838 -5.242 833 HB2 ARG 104 2HB ARG 104 -10.166 -2.534 -5.435 834 HB3 ARG 104 1HB ARG 104 -10.804 -2.126 -3.851 835 HG2 ARG 104 2HG ARG 104 -11.503 0.055 -4.666 836 HG3 ARG 104 1HG ARG 104 -10.806 -0.294 -6.247 837 HD2 ARG 104 2HD ARG 104 -12.396 -2.068 -6.614 838 HD3 ARG 104 1HD ARG 104 -13.016 -1.907 -4.970 839 HE ARG 104 HE ARG 104 -13.382 0.558 -6.032 840 HH11 ARG 104 1HH1 ARG 104 -14.326 -2.606 -7.032 841 HH12 ARG 104 2HH1 ARG 104 -15.759 -2.036 -7.813 842 HH21 ARG 104 1HH2 ARG 104 -15.221 1.254 -7.004 843 HH22 ARG 104 2HH2 ARG 104 -16.269 0.119 -7.786 844 H LEU 105 H LEU 105 -8.931 1.315 -5.044 845 HA LEU 105 HA LEU 105 -9.842 2.328 -2.426 846 HB2 LEU 105 2HB LEU 105 -7.431 2.714 -2.568 847 HB3 LEU 105 1HB LEU 105 -7.629 3.497 -4.125 848 HG LEU 105 HG LEU 105 -8.981 5.281 -2.996 849 HD11 LEU 105 1HD1 LEU 105 -8.837 5.480 -0.552 850 HD12 LEU 105 2HD1 LEU 105 -8.063 3.898 -0.473 851 HD13 LEU 105 3HD1 LEU 105 -9.725 4.039 -1.048 852 HD21 LEU 105 3HD2 LEU 105 -6.165 4.897 -1.970 853 HD22 LEU 105 1HD2 LEU 105 -7.061 6.418 -1.978 854 HD23 LEU 105 2HD2 LEU 105 -6.626 5.643 -3.500 855 H ASP 106 H ASP 106 -11.630 3.508 -2.628 856 HA ASP 106 HA ASP 106 -12.296 4.689 -5.251 857 HB2 ASP 106 2HB ASP 106 -14.070 3.688 -3.021 858 HB3 ASP 106 1HB ASP 106 -14.670 4.571 -4.418 859 H VAL 107 H VAL 107 -13.034 6.775 -5.401 860 HA VAL 107 HA VAL 107 -13.230 8.361 -2.919 861 HB VAL 107 HB VAL 107 -12.140 9.393 -5.553 862 HG11 VAL 107 1HG1 VAL 107 -12.331 10.696 -2.830 863 HG12 VAL 107 2HG1 VAL 107 -13.278 11.114 -4.258 864 HG13 VAL 107 3HG1 VAL 107 -11.537 11.393 -4.244 865 HG21 VAL 107 3HG2 VAL 107 -10.653 8.728 -3.005 866 HG22 VAL 107 1HG2 VAL 107 -9.959 9.503 -4.431 867 HG23 VAL 107 2HG2 VAL 107 -10.551 7.845 -4.529 868 H THR 108 H THR 108 -14.827 9.956 -2.881 869 HA THR 108 HA THR 108 -16.754 9.962 -5.118 870 HB THR 108 HB THR 108 -17.481 9.922 -2.170 871 HG1 THR 108 HG1 THR 108 -16.892 7.863 -2.826 872 HG21 THR 108 3HG2 THR 108 -19.801 9.718 -2.965 873 HG22 THR 108 1HG2 THR 108 -19.245 9.903 -4.630 874 HG23 THR 108 2HG2 THR 108 -19.075 11.236 -3.488 875 H ALA 109 H ALA 109 -17.913 11.930 -5.426 876 HA ALA 109 HA ALA 109 -16.242 14.200 -4.902 877 HB1 ALA 109 3HB ALA 109 -17.795 15.419 -6.338 878 HB2 ALA 109 1HB ALA 109 -18.918 14.059 -6.296 879 HB3 ALA 109 2HB ALA 109 -17.342 13.877 -7.063 880 H ARG 110 H ARG 110 -16.552 15.928 -3.559 881 HA ARG 110 HA ARG 110 -18.625 15.817 -1.557 882 HB2 ARG 110 2HB ARG 110 -16.470 17.856 -2.144 883 HB3 ARG 110 1HB ARG 110 -17.662 18.072 -0.870 884 HG2 ARG 110 2HG ARG 110 -16.859 15.946 0.159 885 HG3 ARG 110 1HG ARG 110 -15.578 15.900 -1.055 886 HD2 ARG 110 2HD ARG 110 -14.721 18.041 -0.256 887 HD3 ARG 110 1HD ARG 110 -16.035 18.147 0.916 888 HE ARG 110 HE ARG 110 -14.618 15.761 1.355 889 HH11 ARG 110 1HH1 ARG 110 -14.155 19.165 1.651 890 HH12 ARG 110 2HH1 ARG 110 -13.024 19.005 2.947 891 HH21 ARG 110 1HH2 ARG 110 -13.160 15.580 3.013 892 HH22 ARG 110 2HH2 ARG 110 -12.461 17.011 3.696 893 HA PRO 111 HA PRO 111 -21.564 17.766 -4.272 894 HB2 PRO 111 2HB PRO 111 -23.568 18.180 -2.462 895 HB3 PRO 111 1HB PRO 111 -23.199 16.598 -3.158 896 HG2 PRO 111 2HG PRO 111 -22.386 17.731 -0.502 897 HG3 PRO 111 1HG PRO 111 -22.988 16.107 -0.889 898 HD2 PRO 111 2HD PRO 111 -20.358 16.625 -0.519 899 HD3 PRO 111 1HD PRO 111 -20.923 15.396 -1.670 900 H ASN 112 H ASN 112 -20.558 19.309 -1.272 901 HA ASN 112 HA ASN 112 -21.009 21.946 -2.502 902 HB2 ASN 112 2HB ASN 112 -22.800 21.272 -0.767 903 HB3 ASN 112 1HB ASN 112 -21.527 21.447 0.436 904 HD21 ASN 112 1HD2 ASN 112 -23.981 22.944 0.141 905 HD22 ASN 112 2HD2 ASN 112 -23.526 24.599 -0.048 906 H GLN 113 H GLN 113 -19.553 23.598 -1.782 907 HA GLN 113 HA GLN 113 -16.910 22.586 -1.294 908 HB2 GLN 113 2HB GLN 113 -17.883 25.449 -1.436 909 HB3 GLN 113 1HB GLN 113 -16.202 24.937 -1.470 910 HG2 GLN 113 2HG GLN 113 -16.632 23.749 -3.585 911 HG3 GLN 113 1HG GLN 113 -18.295 24.334 -3.553 912 HE21 GLN 113 1HE2 GLN 113 -16.222 24.816 -5.530 913 HE22 GLN 113 2HE2 GLN 113 -16.003 26.527 -5.600 914 H THR 114 H THR 114 -15.511 23.080 0.438 915 HA THR 114 HA THR 114 -16.647 23.480 3.038 916 HB THR 114 HB THR 114 -14.366 23.565 3.875 917 HG1 THR 114 HG1 THR 114 -13.011 24.592 2.599 918 HG21 THR 114 3HG2 THR 114 -13.485 21.445 2.984 919 HG22 THR 114 1HG2 THR 114 -14.617 21.545 1.634 920 HG23 THR 114 2HG2 THR 114 -15.222 21.350 3.280 921 H LEU 115 H LEU 115 -14.961 25.516 0.703 922 HA LEU 115 HA LEU 115 -14.967 27.740 0.312 923 HB2 LEU 115 2HB LEU 115 -17.383 27.465 0.398 924 HB3 LEU 115 1HB LEU 115 -17.370 27.693 2.136 925 HG LEU 115 HG LEU 115 -16.613 30.021 1.830 926 HD11 LEU 115 1HD1 LEU 115 -16.601 31.017 -0.416 927 HD12 LEU 115 2HD1 LEU 115 -16.868 29.421 -1.119 928 HD13 LEU 115 3HD1 LEU 115 -15.374 29.762 -0.244 929 HD21 LEU 115 3HD2 LEU 115 -19.075 29.366 0.199 930 HD22 LEU 115 1HD2 LEU 115 -18.697 30.915 0.954 931 HD23 LEU 115 2HD2 LEU 115 -19.020 29.502 1.958 932 HA PRO 116 HA PRO 116 -12.635 29.111 3.998 933 HB2 PRO 116 2HB PRO 116 -10.728 30.454 2.608 934 HB3 PRO 116 1HB PRO 116 -10.670 28.706 2.859 935 HG2 PRO 116 2HG PRO 116 -11.565 30.248 0.450 936 HG3 PRO 116 1HG PRO 116 -10.589 28.770 0.535 937 HD2 PRO 116 2HD PRO 116 -13.264 28.782 -0.040 938 HD3 PRO 116 1HD PRO 116 -12.434 27.414 0.728 Start of MODEL 16 1 H1 MET 1 1H MET 1 33.487 -9.220 8.449 2 H2 MET 1 2H MET 1 31.920 -9.508 9.015 3 H3 MET 1 3H MET 1 32.175 -8.404 7.763 4 HA MET 1 HA MET 1 32.666 -11.325 7.629 5 HB2 MET 1 2HB MET 1 30.473 -9.588 6.476 6 HB3 MET 1 1HB MET 1 30.807 -11.211 5.891 7 HG2 MET 1 2HG MET 1 30.328 -12.116 8.109 8 HG3 MET 1 1HG MET 1 29.994 -10.487 8.702 9 HE1 MET 1 3HE MET 1 26.478 -12.340 8.500 10 HE2 MET 1 1HE MET 1 27.636 -11.571 9.584 11 HE3 MET 1 2HE MET 1 28.031 -13.113 8.823 12 H GLY 2 H GLY 2 32.577 -11.870 5.109 13 HA2 GLY 2 2HA GLY 2 33.397 -10.380 3.040 14 HA3 GLY 2 1HA GLY 2 34.878 -10.485 3.981 15 H HIS 3 H HIS 3 36.203 -11.925 3.043 16 HA HIS 3 HA HIS 3 35.045 -14.511 2.195 17 HB2 HIS 3 2HB HIS 3 35.770 -13.258 0.240 18 HB3 HIS 3 1HB HIS 3 37.363 -13.017 0.950 19 HD1 HIS 3 HD1 HIS 3 39.071 -14.592 0.118 20 HD2 HIS 3 HD2 HIS 3 35.255 -16.228 -0.079 21 HE1 HIS 3 HE1 HIS 3 39.361 -16.859 -0.923 22 HE2 HIS 3 HE2 HIS 3 37.030 -17.767 -1.158 23 H HIS 4 H HIS 4 37.618 -12.922 3.958 24 HA HIS 4 HA HIS 4 39.419 -15.038 4.255 25 HB2 HIS 4 2HB HIS 4 38.763 -12.751 6.125 26 HB3 HIS 4 1HB HIS 4 40.084 -13.881 6.408 27 HD1 HIS 4 HD1 HIS 4 42.240 -13.482 5.169 28 HD2 HIS 4 HD2 HIS 4 39.147 -11.059 3.813 29 HE1 HIS 4 HE1 HIS 4 43.311 -11.829 3.619 30 HE2 HIS 4 HE2 HIS 4 41.450 -10.303 2.910 31 H HIS 5 H HIS 5 38.863 -17.019 4.845 32 HA HIS 5 HA HIS 5 38.138 -18.799 6.041 33 HB2 HIS 5 2HB HIS 5 37.946 -16.816 8.324 34 HB3 HIS 5 1HB HIS 5 37.919 -18.570 8.487 35 HD1 HIS 5 HD1 HIS 5 40.181 -19.842 7.979 36 HD2 HIS 5 HD2 HIS 5 40.469 -15.693 8.030 37 HE1 HIS 5 HE1 HIS 5 42.638 -19.337 8.084 38 HE2 HIS 5 HE2 HIS 5 42.792 -16.828 7.989 39 H HIS 6 H HIS 6 36.169 -16.695 4.871 40 HA HIS 6 HA HIS 6 33.729 -17.289 6.343 41 HB2 HIS 6 2HB HIS 6 33.916 -15.057 5.461 42 HB3 HIS 6 1HB HIS 6 34.281 -15.661 3.850 43 HD1 HIS 6 HD1 HIS 6 32.305 -16.420 2.388 44 HD2 HIS 6 HD2 HIS 6 31.179 -15.104 6.167 45 HE1 HIS 6 HE1 HIS 6 29.815 -16.127 2.284 46 HE2 HIS 6 HE2 HIS 6 29.187 -15.164 4.516 47 H HIS 7 H HIS 7 33.497 -19.542 6.084 48 HA HIS 7 HA HIS 7 33.125 -20.519 3.340 49 HB2 HIS 7 2HB HIS 7 33.005 -22.811 4.609 50 HB3 HIS 7 1HB HIS 7 34.555 -22.025 4.341 51 HD1 HIS 7 HD1 HIS 7 35.668 -20.872 6.434 52 HD2 HIS 7 HD2 HIS 7 32.311 -23.171 7.266 53 HE1 HIS 7 HE1 HIS 7 35.712 -21.254 8.912 54 HE2 HIS 7 HE2 HIS 7 33.711 -22.698 9.384 55 H HIS 8 H HIS 8 31.369 -20.400 6.454 56 HA HIS 8 HA HIS 8 28.920 -19.825 5.232 57 HB2 HIS 8 2HB HIS 8 27.627 -21.867 5.492 58 HB3 HIS 8 1HB HIS 8 28.998 -22.169 4.432 59 HD1 HIS 8 HD1 HIS 8 27.455 -23.229 7.611 60 HD2 HIS 8 HD2 HIS 8 31.033 -23.820 5.587 61 HE1 HIS 8 HE1 HIS 8 28.560 -25.170 8.750 62 HE2 HIS 8 HE2 HIS 8 30.609 -25.637 7.373 63 H SER 9 H SER 9 27.381 -19.207 6.667 64 HA SER 9 HA SER 9 27.910 -19.639 9.548 65 HB2 SER 9 2HB SER 9 26.678 -17.531 9.941 66 HB3 SER 9 1HB SER 9 28.067 -17.274 8.887 67 HG SER 9 HG SER 9 25.830 -16.376 8.325 68 H HIS 10 H HIS 10 25.548 -19.012 10.701 69 HA HIS 10 HA HIS 10 23.463 -20.597 9.337 70 HB2 HIS 10 2HB HIS 10 24.179 -20.817 12.279 71 HB3 HIS 10 1HB HIS 10 22.814 -21.615 11.503 72 HD1 HIS 10 HD1 HIS 10 26.301 -22.103 12.359 73 HD2 HIS 10 HD2 HIS 10 23.693 -23.600 9.494 74 HE1 HIS 10 HE1 HIS 10 27.372 -24.201 11.513 75 HE2 HIS 10 HE2 HIS 10 25.678 -25.199 9.949 76 H GLU 11 H GLU 11 22.405 -18.662 8.745 77 HA GLU 11 HA GLU 11 21.246 -17.128 10.985 78 HB2 GLU 11 2HB GLU 11 22.156 -16.133 8.277 79 HB3 GLU 11 1HB GLU 11 21.200 -15.171 9.401 80 HG2 GLU 11 2HG GLU 11 22.956 -15.209 11.034 81 HG3 GLU 11 1HG GLU 11 23.890 -16.353 10.072 82 H HIS 12 H HIS 12 19.186 -15.959 10.381 83 HA HIS 12 HA HIS 12 17.452 -17.947 9.060 84 HB2 HIS 12 2HB HIS 12 16.795 -15.881 11.178 85 HB3 HIS 12 1HB HIS 12 15.630 -16.984 10.455 86 HD1 HIS 12 HD1 HIS 12 15.099 -18.749 12.095 87 HD2 HIS 12 HD2 HIS 12 19.131 -17.748 12.176 88 HE1 HIS 12 HE1 HIS 12 16.139 -20.269 13.797 89 HE2 HIS 12 HE2 HIS 12 18.599 -19.769 13.692 90 H LYS 13 H LYS 13 16.802 -17.404 7.063 91 HA LYS 13 HA LYS 13 15.905 -14.624 6.590 92 HB2 LYS 13 2HB LYS 13 16.836 -16.672 4.559 93 HB3 LYS 13 1HB LYS 13 16.186 -15.088 4.160 94 HG2 LYS 13 2HG LYS 13 18.074 -14.093 5.499 95 HG3 LYS 13 1HG LYS 13 18.766 -15.713 5.585 96 HD2 LYS 13 2HD LYS 13 18.184 -14.145 3.062 97 HD3 LYS 13 1HD LYS 13 19.776 -14.442 3.762 98 HE2 LYS 13 2HE LYS 13 19.470 -16.860 3.406 99 HE3 LYS 13 1HE LYS 13 17.892 -16.549 2.684 100 HZ1 LYS 13 3HZ LYS 13 19.016 -15.233 0.958 101 HZ2 LYS 13 1HZ LYS 13 19.535 -16.846 0.976 102 HZ3 LYS 13 2HZ LYS 13 20.513 -15.636 1.632 103 H ARG 14 H ARG 14 13.758 -14.365 6.407 104 HA ARG 14 HA ARG 14 12.081 -16.762 5.993 105 HB2 ARG 14 2HB ARG 14 12.076 -15.421 8.224 106 HB3 ARG 14 1HB ARG 14 11.147 -14.230 7.331 107 HG2 ARG 14 2HG ARG 14 9.635 -15.617 8.545 108 HG3 ARG 14 1HG ARG 14 9.468 -16.002 6.830 109 HD2 ARG 14 2HD ARG 14 10.662 -18.031 7.067 110 HD3 ARG 14 1HD ARG 14 11.266 -17.579 8.661 111 HE ARG 14 HE ARG 14 8.438 -17.709 8.670 112 HH11 ARG 14 1HH1 ARG 14 11.224 -19.754 8.578 113 HH12 ARG 14 2HH1 ARG 14 10.443 -21.029 9.439 114 HH21 ARG 14 1HH2 ARG 14 7.452 -19.374 9.764 115 HH22 ARG 14 2HH2 ARG 14 8.342 -20.817 10.100 116 H ALA 15 H ALA 15 11.016 -16.823 4.090 117 HA ALA 15 HA ALA 15 10.866 -14.676 2.267 118 HB1 ALA 15 3HB ALA 15 9.239 -17.220 2.345 119 HB2 ALA 15 1HB ALA 15 10.805 -17.009 1.561 120 HB3 ALA 15 2HB ALA 15 9.393 -16.138 0.959 121 HA PRO 16 HA PRO 16 7.540 -12.283 3.867 122 HB2 PRO 16 2HB PRO 16 6.665 -11.042 1.597 123 HB3 PRO 16 1HB PRO 16 8.182 -10.630 2.405 124 HG2 PRO 16 2HG PRO 16 7.730 -12.399 0.022 125 HG3 PRO 16 1HG PRO 16 8.965 -11.148 0.267 126 HD2 PRO 16 2HD PRO 16 9.508 -13.769 0.588 127 HD3 PRO 16 1HD PRO 16 10.273 -12.523 1.593 128 H MET 17 H MET 17 5.370 -12.376 4.241 129 HA MET 17 HA MET 17 3.602 -13.838 2.428 130 HB2 MET 17 2HB MET 17 4.356 -15.633 3.795 131 HB3 MET 17 1HB MET 17 4.240 -14.668 5.260 132 HG2 MET 17 2HG MET 17 2.467 -16.364 5.067 133 HG3 MET 17 1HG MET 17 1.840 -14.720 5.172 134 HE1 MET 17 3HE MET 17 -0.504 -15.548 4.387 135 HE2 MET 17 1HE MET 17 0.057 -17.209 4.210 136 HE3 MET 17 2HE MET 17 -0.809 -16.428 2.886 137 H PHE 18 H PHE 18 1.735 -12.746 2.234 138 HA PHE 18 HA PHE 18 0.996 -10.630 4.037 139 HB2 PHE 18 2HB PHE 18 -0.377 -11.882 1.650 140 HB3 PHE 18 1HB PHE 18 -1.145 -10.628 2.616 141 HD1 PHE 18 HD1 PHE 18 -0.258 -8.347 2.627 142 HD2 PHE 18 HD2 PHE 18 1.409 -11.362 0.122 143 HE1 PHE 18 HE1 PHE 18 0.844 -6.612 1.278 144 HE2 PHE 18 HE2 PHE 18 2.518 -9.629 -1.227 145 HZ PHE 18 HZ PHE 18 2.236 -7.250 -0.652 146 H ILE 19 H ILE 19 0.372 -11.224 6.037 147 HA ILE 19 HA ILE 19 -1.124 -13.599 6.614 148 HB ILE 19 HB ILE 19 -0.749 -11.206 8.426 149 HG12 ILE 19 2HG1 ILE 19 1.080 -13.607 8.108 150 HG13 ILE 19 1HG1 ILE 19 1.431 -11.990 7.507 151 HG21 ILE 19 1HG2 ILE 19 -1.214 -14.134 9.022 152 HG22 ILE 19 2HG2 ILE 19 -2.405 -12.842 9.180 153 HG23 ILE 19 3HG2 ILE 19 -0.983 -12.861 10.222 154 HD11 ILE 19 3HD1 ILE 19 1.363 -11.141 9.819 155 HD12 ILE 19 1HD1 ILE 19 2.606 -12.373 9.571 156 HD13 ILE 19 2HD1 ILE 19 1.101 -12.792 10.388 157 H TYR 20 H TYR 20 -1.902 -10.184 6.235 158 HA TYR 20 HA TYR 20 -4.769 -10.875 6.134 159 HB2 TYR 20 2HB TYR 20 -3.658 -8.329 7.355 160 HB3 TYR 20 1HB TYR 20 -5.352 -8.784 7.245 161 HD1 TYR 20 HD1 TYR 20 -6.201 -10.701 8.647 162 HD2 TYR 20 HD2 TYR 20 -2.301 -9.072 9.139 163 HE1 TYR 20 HE1 TYR 20 -6.055 -11.734 10.875 164 HE2 TYR 20 HE2 TYR 20 -2.143 -10.102 11.364 165 HH TYR 20 HH TYR 20 -3.610 -10.923 13.117 166 H LYS 21 H LYS 21 -5.731 -10.176 4.289 167 HA LYS 21 HA LYS 21 -4.239 -8.618 2.392 168 HB2 LYS 21 2HB LYS 21 -6.274 -8.821 0.970 169 HB3 LYS 21 1HB LYS 21 -5.660 -10.364 1.545 170 HG2 LYS 21 2HG LYS 21 -7.407 -10.320 3.328 171 HG3 LYS 21 1HG LYS 21 -8.069 -8.869 2.569 172 HD2 LYS 21 2HD LYS 21 -8.452 -10.105 0.499 173 HD3 LYS 21 1HD LYS 21 -7.738 -11.553 1.213 174 HE2 LYS 21 2HE LYS 21 -9.528 -11.541 2.926 175 HE3 LYS 21 1HE LYS 21 -10.262 -10.158 2.110 176 HZ1 LYS 21 3HZ LYS 21 -11.331 -12.191 1.437 177 HZ2 LYS 21 1HZ LYS 21 -9.854 -12.862 0.959 178 HZ3 LYS 21 2HZ LYS 21 -10.492 -11.539 0.121 179 HA PRO 22 HA PRO 22 -5.240 -4.571 3.729 180 HB2 PRO 22 2HB PRO 22 -5.292 -3.245 1.309 181 HB3 PRO 22 1HB PRO 22 -3.819 -3.695 2.174 182 HG2 PRO 22 2HG PRO 22 -5.192 -5.111 -0.087 183 HG3 PRO 22 1HG PRO 22 -3.460 -4.806 0.155 184 HD2 PRO 22 2HD PRO 22 -4.526 -7.201 0.685 185 HD3 PRO 22 1HD PRO 22 -3.251 -6.519 1.717 186 H GLN 23 H GLN 23 -6.820 -2.859 3.658 187 HA GLN 23 HA GLN 23 -9.490 -3.882 3.063 188 HB2 GLN 23 2HB GLN 23 -10.297 -2.073 4.495 189 HB3 GLN 23 1HB GLN 23 -9.041 -2.992 5.312 190 HG2 GLN 23 2HG GLN 23 -7.425 -1.259 4.924 191 HG3 GLN 23 1HG GLN 23 -8.551 -0.374 3.896 192 HE21 GLN 23 1HE2 GLN 23 -7.183 0.536 6.292 193 HE22 GLN 23 2HE2 GLN 23 -8.417 1.002 7.408 194 H SER 24 H SER 24 -10.991 -2.851 1.739 195 HA SER 24 HA SER 24 -9.954 -0.674 0.037 196 HB2 SER 24 2HB SER 24 -11.564 -1.322 -1.636 197 HB3 SER 24 1HB SER 24 -10.739 -2.783 -1.094 198 HG SER 24 HG SER 24 -13.377 -1.956 -0.715 199 H LYS 25 H LYS 25 -10.742 1.325 0.292 200 HA LYS 25 HA LYS 25 -13.298 1.689 1.735 201 HB2 LYS 25 2HB LYS 25 -10.623 2.963 2.285 202 HB3 LYS 25 1HB LYS 25 -12.116 3.759 2.759 203 HG2 LYS 25 2HG LYS 25 -11.357 0.973 3.633 204 HG3 LYS 25 1HG LYS 25 -11.004 2.432 4.564 205 HD2 LYS 25 2HD LYS 25 -13.442 2.944 4.595 206 HD3 LYS 25 1HD LYS 25 -13.743 1.411 3.776 207 HE2 LYS 25 2HE LYS 25 -12.427 1.722 6.479 208 HE3 LYS 25 1HE LYS 25 -14.110 1.268 6.210 209 HZ1 LYS 25 3HZ LYS 25 -12.818 -0.685 6.606 210 HZ2 LYS 25 1HZ LYS 25 -11.712 -0.278 5.395 211 HZ3 LYS 25 2HZ LYS 25 -13.300 -0.691 4.987 212 H LYS 26 H LYS 26 -14.394 3.698 1.378 213 HA LYS 26 HA LYS 26 -13.485 5.210 -0.991 214 HB2 LYS 26 2HB LYS 26 -15.844 5.682 -1.526 215 HB3 LYS 26 1HB LYS 26 -15.491 3.961 -1.567 216 HG2 LYS 26 2HG LYS 26 -16.535 3.689 0.632 217 HG3 LYS 26 1HG LYS 26 -16.878 5.419 0.684 218 HD2 LYS 26 2HD LYS 26 -17.949 3.468 -1.365 219 HD3 LYS 26 1HD LYS 26 -18.851 4.118 0.004 220 HE2 LYS 26 2HE LYS 26 -18.573 6.386 -0.912 221 HE3 LYS 26 1HE LYS 26 -17.705 5.715 -2.291 222 HZ1 LYS 26 3HZ LYS 26 -20.533 5.155 -1.578 223 HZ2 LYS 26 1HZ LYS 26 -19.701 4.481 -2.889 224 HZ3 LYS 26 2HZ LYS 26 -20.000 6.142 -2.845 225 H VAL 27 H VAL 27 -12.917 7.229 -0.555 226 HA VAL 27 HA VAL 27 -14.011 8.547 1.867 227 HB VAL 27 HB VAL 27 -11.932 9.886 1.933 228 HG11 VAL 27 1HG1 VAL 27 -10.421 8.082 2.677 229 HG12 VAL 27 2HG1 VAL 27 -11.486 6.895 1.923 230 HG13 VAL 27 3HG1 VAL 27 -12.064 7.862 3.280 231 HG21 VAL 27 3HG2 VAL 27 -10.014 9.251 0.534 232 HG22 VAL 27 1HG2 VAL 27 -11.365 9.820 -0.446 233 HG23 VAL 27 2HG2 VAL 27 -11.028 8.093 -0.329 234 H LEU 28 H LEU 28 -13.727 11.076 1.672 235 HA LEU 28 HA LEU 28 -15.126 11.865 -0.772 236 HB2 LEU 28 2HB LEU 28 -14.653 13.313 1.836 237 HB3 LEU 28 1HB LEU 28 -15.444 14.052 0.456 238 HG LEU 28 HG LEU 28 -16.449 11.636 1.976 239 HD11 LEU 28 1HD1 LEU 28 -16.656 13.727 3.238 240 HD12 LEU 28 2HD1 LEU 28 -18.229 13.102 2.743 241 HD13 LEU 28 3HD1 LEU 28 -17.512 14.461 1.879 242 HD21 LEU 28 3HD2 LEU 28 -17.026 11.554 -0.407 243 HD22 LEU 28 1HD2 LEU 28 -17.731 13.165 -0.292 244 HD23 LEU 28 2HD2 LEU 28 -18.446 11.821 0.600 245 H GLU 29 H GLU 29 -14.600 13.865 -1.867 246 HA GLU 29 HA GLU 29 -11.981 14.023 -2.800 247 HB2 GLU 29 2HB GLU 29 -14.219 16.054 -2.867 248 HB3 GLU 29 1HB GLU 29 -12.703 16.267 -3.736 249 HG2 GLU 29 2HG GLU 29 -13.178 14.230 -5.019 250 HG3 GLU 29 1HG GLU 29 -14.699 14.046 -4.143 251 H GLY 30 H GLY 30 -10.286 14.428 -1.465 252 HA2 GLY 30 2HA GLY 30 -8.875 16.317 -0.796 253 HA3 GLY 30 1HA GLY 30 -10.287 17.023 -0.031 254 H ASP 31 H ASP 31 -10.690 13.946 0.777 255 HA ASP 31 HA ASP 31 -9.543 14.303 3.407 256 HB2 ASP 31 2HB ASP 31 -11.263 12.145 2.180 257 HB3 ASP 31 1HB ASP 31 -10.656 12.055 3.832 258 H SER 32 H SER 32 -8.768 11.990 4.370 259 HA SER 32 HA SER 32 -6.617 10.976 2.620 260 HB2 SER 32 2HB SER 32 -5.123 10.857 4.579 261 HB3 SER 32 1HB SER 32 -5.647 12.512 4.276 262 HG SER 32 HG SER 32 -6.201 10.824 6.407 263 H VAL 33 H VAL 33 -6.056 8.814 2.832 264 HA VAL 33 HA VAL 33 -7.736 7.143 4.594 265 HB VAL 33 HB VAL 33 -8.633 7.118 2.269 266 HG11 VAL 33 1HG1 VAL 33 -6.569 7.476 1.040 267 HG12 VAL 33 2HG1 VAL 33 -7.345 5.990 0.492 268 HG13 VAL 33 3HG1 VAL 33 -5.951 5.910 1.570 269 HG21 VAL 33 3HG2 VAL 33 -8.777 4.670 2.045 270 HG22 VAL 33 1HG2 VAL 33 -8.979 5.184 3.719 271 HG23 VAL 33 2HG2 VAL 33 -7.446 4.490 3.189 272 H LYS 34 H LYS 34 -6.787 5.089 5.191 273 HA LYS 34 HA LYS 34 -3.916 4.839 4.587 274 HB2 LYS 34 2HB LYS 34 -3.548 4.071 6.927 275 HB3 LYS 34 1HB LYS 34 -4.060 5.747 6.804 276 HG2 LYS 34 2HG LYS 34 -6.423 4.881 7.283 277 HG3 LYS 34 1HG LYS 34 -5.636 3.379 7.768 278 HD2 LYS 34 2HD LYS 34 -5.128 6.119 8.940 279 HD3 LYS 34 1HD LYS 34 -6.045 4.821 9.702 280 HE2 LYS 34 2HE LYS 34 -3.144 4.544 8.919 281 HE3 LYS 34 1HE LYS 34 -3.657 5.131 10.499 282 HZ1 LYS 34 3HZ LYS 34 -4.748 3.059 10.927 283 HZ2 LYS 34 1HZ LYS 34 -3.155 2.745 10.463 284 HZ3 LYS 34 2HZ LYS 34 -4.412 2.492 9.367 285 H LEU 35 H LEU 35 -3.492 3.035 3.562 286 HA LEU 35 HA LEU 35 -5.246 0.679 3.880 287 HB2 LEU 35 2HB LEU 35 -3.256 1.277 1.676 288 HB3 LEU 35 1HB LEU 35 -4.422 -0.034 1.703 289 HG LEU 35 HG LEU 35 -5.095 2.913 1.534 290 HD11 LEU 35 1HD1 LEU 35 -5.249 0.754 -0.572 291 HD12 LEU 35 2HD1 LEU 35 -4.085 2.078 -0.525 292 HD13 LEU 35 3HD1 LEU 35 -5.800 2.421 -0.753 293 HD21 LEU 35 3HD2 LEU 35 -6.808 1.638 2.731 294 HD22 LEU 35 1HD2 LEU 35 -6.903 0.496 1.389 295 HD23 LEU 35 2HD2 LEU 35 -7.392 2.176 1.157 296 H GLU 36 H GLU 36 -4.430 -0.959 5.110 297 HA GLU 36 HA GLU 36 -1.502 -1.196 5.334 298 HB2 GLU 36 2HB GLU 36 -1.754 -1.507 7.778 299 HB3 GLU 36 1HB GLU 36 -2.241 0.092 7.230 300 HG2 GLU 36 2HG GLU 36 -4.621 -0.776 7.224 301 HG3 GLU 36 1HG GLU 36 -4.007 -2.191 8.080 302 H CYS 37 H CYS 37 -0.678 -3.200 6.036 303 HA CYS 37 HA CYS 37 -2.416 -5.489 6.397 304 HB2 CYS 37 2HB CYS 37 -1.429 -6.799 4.546 305 HB3 CYS 37 1HB CYS 37 -2.311 -5.396 3.954 306 HG CYS 37 HG CYS 37 -0.383 -4.819 2.358 307 H GLN 38 H GLN 38 -1.132 -7.498 6.885 308 HA GLN 38 HA GLN 38 1.422 -6.802 8.202 309 HB2 GLN 38 2HB GLN 38 -0.502 -9.069 8.784 310 HB3 GLN 38 1HB GLN 38 1.031 -8.816 9.606 311 HG2 GLN 38 2HG GLN 38 -1.274 -6.876 9.630 312 HG3 GLN 38 1HG GLN 38 -0.926 -8.054 10.892 313 HE21 GLN 38 1HE2 GLN 38 1.958 -7.699 10.748 314 HE22 GLN 38 2HE2 GLN 38 2.285 -6.167 11.463 315 H ILE 39 H ILE 39 3.241 -7.624 7.402 316 HA ILE 39 HA ILE 39 3.139 -10.108 5.800 317 HB ILE 39 HB ILE 39 5.026 -7.766 5.427 318 HG12 ILE 39 2HG1 ILE 39 2.779 -8.773 3.658 319 HG13 ILE 39 1HG1 ILE 39 2.754 -7.290 4.607 320 HG21 ILE 39 1HG2 ILE 39 5.836 -8.990 3.449 321 HG22 ILE 39 2HG2 ILE 39 4.811 -10.357 3.889 322 HG23 ILE 39 3HG2 ILE 39 6.135 -9.872 4.948 323 HD11 ILE 39 3HD1 ILE 39 4.588 -6.401 3.265 324 HD12 ILE 39 1HD1 ILE 39 3.197 -6.827 2.271 325 HD13 ILE 39 2HD1 ILE 39 4.608 -7.884 2.310 326 H SER 40 H SER 40 4.335 -11.761 6.604 327 HA SER 40 HA SER 40 6.348 -11.186 8.670 328 HB2 SER 40 2HB SER 40 4.772 -12.993 9.170 329 HB3 SER 40 1HB SER 40 5.231 -13.832 7.688 330 HG SER 40 HG SER 40 6.750 -13.422 10.041 331 H ALA 41 H ALA 41 8.178 -10.475 7.679 332 HA ALA 41 HA ALA 41 9.546 -12.376 5.894 333 HB1 ALA 41 3HB ALA 41 8.627 -10.602 4.491 334 HB2 ALA 41 1HB ALA 41 10.390 -10.547 4.515 335 HB3 ALA 41 2HB ALA 41 9.457 -9.391 5.466 336 H ILE 42 H ILE 42 11.782 -12.497 6.113 337 HA ILE 42 HA ILE 42 13.150 -10.591 7.884 338 HB ILE 42 HB ILE 42 13.384 -13.600 8.199 339 HG12 ILE 42 2HG1 ILE 42 12.367 -11.488 10.131 340 HG13 ILE 42 1HG1 ILE 42 11.367 -12.653 9.271 341 HG21 ILE 42 1HG2 ILE 42 14.995 -13.127 9.980 342 HG22 ILE 42 2HG2 ILE 42 14.870 -11.400 9.649 343 HG23 ILE 42 3HG2 ILE 42 15.554 -12.482 8.436 344 HD11 ILE 42 3HD1 ILE 42 13.467 -13.315 11.327 345 HD12 ILE 42 1HD1 ILE 42 12.453 -14.480 10.474 346 HD13 ILE 42 2HD1 ILE 42 11.723 -13.318 11.581 347 HA PRO 43 HA PRO 43 14.552 -9.264 7.705 348 HB2 PRO 43 2HB PRO 43 15.819 -7.659 5.635 349 HB3 PRO 43 1HB PRO 43 16.424 -8.056 7.244 350 HG2 PRO 43 2HG PRO 43 17.544 -9.000 4.937 351 HG3 PRO 43 1HG PRO 43 17.628 -9.856 6.488 352 HD2 PRO 43 2HD PRO 43 15.782 -10.318 4.161 353 HD3 PRO 43 1HD PRO 43 16.646 -11.504 5.168 354 HA PRO 44 HA PRO 44 11.029 -7.050 5.958 355 HB2 PRO 44 2HB PRO 44 12.732 -4.580 6.093 356 HB3 PRO 44 1HB PRO 44 11.064 -4.825 6.630 357 HG2 PRO 44 2HG PRO 44 13.039 -4.791 8.399 358 HG3 PRO 44 1HG PRO 44 11.712 -5.959 8.556 359 HD2 PRO 44 2HD PRO 44 14.523 -6.395 7.640 360 HD3 PRO 44 1HD PRO 44 13.451 -7.477 8.552 361 HA PRO 45 HA PRO 45 12.375 -6.891 1.666 362 HB2 PRO 45 2HB PRO 45 10.006 -7.297 0.515 363 HB3 PRO 45 1HB PRO 45 10.760 -8.559 1.498 364 HG2 PRO 45 2HG PRO 45 8.541 -6.681 2.203 365 HG3 PRO 45 1HG PRO 45 8.725 -8.400 2.602 366 HD2 PRO 45 2HD PRO 45 9.349 -6.262 4.298 367 HD3 PRO 45 1HD PRO 45 9.919 -7.930 4.490 368 H LYS 46 H LYS 46 11.863 -5.691 -0.358 369 HA LYS 46 HA LYS 46 11.258 -2.904 0.186 370 HB2 LYS 46 2HB LYS 46 13.139 -3.505 -1.299 371 HB3 LYS 46 1HB LYS 46 12.011 -4.258 -2.421 372 HG2 LYS 46 2HG LYS 46 12.654 -2.060 -3.215 373 HG3 LYS 46 1HG LYS 46 10.938 -2.082 -2.801 374 HD2 LYS 46 2HD LYS 46 11.488 -1.036 -0.618 375 HD3 LYS 46 1HD LYS 46 13.182 -0.956 -1.107 376 HE2 LYS 46 2HE LYS 46 12.558 0.481 -3.000 377 HE3 LYS 46 1HE LYS 46 10.869 0.405 -2.502 378 HZ1 LYS 46 3HZ LYS 46 13.102 1.580 -0.931 379 HZ2 LYS 46 1HZ LYS 46 11.496 1.478 -0.412 380 HZ3 LYS 46 2HZ LYS 46 11.893 2.440 -1.743 381 H LEU 47 H LEU 47 9.463 -1.799 -0.421 382 HA LEU 47 HA LEU 47 7.196 -3.403 -1.389 383 HB2 LEU 47 2HB LEU 47 7.224 -0.744 0.044 384 HB3 LEU 47 1HB LEU 47 5.796 -1.681 -0.361 385 HG LEU 47 HG LEU 47 7.973 -2.625 1.515 386 HD11 LEU 47 1HD1 LEU 47 5.285 -1.395 2.110 387 HD12 LEU 47 2HD1 LEU 47 6.870 -0.724 2.499 388 HD13 LEU 47 3HD1 LEU 47 6.315 -2.194 3.299 389 HD21 LEU 47 3HD2 LEU 47 6.312 -4.332 2.152 390 HD22 LEU 47 1HD2 LEU 47 6.779 -4.457 0.456 391 HD23 LEU 47 2HD2 LEU 47 5.232 -3.733 0.893 392 H PHE 48 H PHE 48 6.213 -2.980 -3.269 393 HA PHE 48 HA PHE 48 6.734 -0.404 -4.631 394 HB2 PHE 48 2HB PHE 48 6.408 -3.151 -5.876 395 HB3 PHE 48 1HB PHE 48 6.496 -1.646 -6.786 396 HD1 PHE 48 HD1 PHE 48 8.589 -0.416 -6.967 397 HD2 PHE 48 HD2 PHE 48 8.382 -4.108 -4.852 398 HE1 PHE 48 HE1 PHE 48 11.044 -0.577 -7.012 399 HE2 PHE 48 HE2 PHE 48 10.836 -4.268 -4.891 400 HZ PHE 48 HZ PHE 48 12.169 -2.504 -5.971 401 H TRP 49 H TRP 49 4.936 0.786 -4.861 402 HA TRP 49 HA TRP 49 2.328 -0.595 -4.914 403 HB2 TRP 49 2HB TRP 49 3.067 2.180 -3.977 404 HB3 TRP 49 1HB TRP 49 1.403 1.668 -4.229 405 HD1 TRP 49 HD1 TRP 49 4.421 0.964 -1.934 406 HE1 TRP 49 HE1 TRP 49 3.541 -0.102 0.236 407 HE3 TRP 49 HE3 TRP 49 -0.492 0.377 -3.243 408 HZ2 TRP 49 HZ2 TRP 49 1.091 -1.064 1.260 409 HZ3 TRP 49 HZ3 TRP 49 -2.039 -0.621 -1.609 410 HH2 TRP 49 HH2 TRP 49 -1.263 -1.325 0.596 411 H LYS 50 H LYS 50 1.163 -0.533 -6.683 412 HA LYS 50 HA LYS 50 1.712 1.522 -8.734 413 HB2 LYS 50 2HB LYS 50 2.430 -0.594 -9.565 414 HB3 LYS 50 1HB LYS 50 0.975 -1.397 -8.994 415 HG2 LYS 50 2HG LYS 50 -0.349 -0.309 -10.690 416 HG3 LYS 50 1HG LYS 50 1.032 0.667 -11.195 417 HD2 LYS 50 2HD LYS 50 0.620 -1.242 -12.709 418 HD3 LYS 50 1HD LYS 50 2.210 -1.314 -11.947 419 HE2 LYS 50 2HE LYS 50 1.211 -3.517 -11.945 420 HE3 LYS 50 1HE LYS 50 1.312 -2.919 -10.291 421 HZ1 LYS 50 3HZ LYS 50 -1.019 -2.381 -10.349 422 HZ2 LYS 50 1HZ LYS 50 -0.817 -3.998 -10.797 423 HZ3 LYS 50 2HZ LYS 50 -1.135 -2.827 -11.975 424 H ARG 51 H ARG 51 0.053 2.805 -9.294 425 HA ARG 51 HA ARG 51 -2.640 2.181 -8.251 426 HB2 ARG 51 2HB ARG 51 -1.832 4.260 -7.382 427 HB3 ARG 51 1HB ARG 51 -1.259 4.769 -8.962 428 HG2 ARG 51 2HG ARG 51 -3.681 4.806 -9.700 429 HG3 ARG 51 1HG ARG 51 -4.105 4.609 -7.997 430 HD2 ARG 51 2HD ARG 51 -3.166 6.690 -7.413 431 HD3 ARG 51 1HD ARG 51 -2.270 6.810 -8.927 432 HE ARG 51 HE ARG 51 -5.037 7.502 -8.474 433 HH11 ARG 51 1HH1 ARG 51 -2.634 6.724 -10.810 434 HH12 ARG 51 2HH1 ARG 51 -3.430 7.552 -12.096 435 HH21 ARG 51 1HH2 ARG 51 -6.065 8.602 -10.156 436 HH22 ARG 51 2HH2 ARG 51 -5.345 8.606 -11.725 437 H ASN 52 H ASN 52 -3.892 1.280 -9.773 438 HA ASN 52 HA ASN 52 -4.912 0.841 -11.769 439 HB2 ASN 52 2HB ASN 52 -5.902 3.011 -10.890 440 HB3 ASN 52 1HB ASN 52 -4.886 3.850 -12.057 441 HD21 ASN 52 1HD2 ASN 52 -6.772 4.654 -13.052 442 HD22 ASN 52 2HD2 ASN 52 -7.722 3.662 -14.098 443 H ASN 53 H ASN 53 -2.582 0.104 -12.395 444 HA ASN 53 HA ASN 53 -1.168 -0.338 -14.113 445 HB2 ASN 53 2HB ASN 53 -2.816 1.686 -15.646 446 HB3 ASN 53 1HB ASN 53 -1.580 0.651 -16.354 447 HD21 ASN 53 1HD2 ASN 53 -3.116 -0.262 -17.721 448 HD22 ASN 53 2HD2 ASN 53 -4.268 -1.417 -17.154 449 H GLU 54 H GLU 54 -1.429 2.812 -12.821 450 HA GLU 54 HA GLU 54 1.124 3.689 -13.992 451 HB2 GLU 54 2HB GLU 54 -0.823 5.188 -12.214 452 HB3 GLU 54 1HB GLU 54 0.627 5.869 -12.941 453 HG2 GLU 54 2HG GLU 54 -0.314 5.524 -15.165 454 HG3 GLU 54 1HG GLU 54 -1.758 4.807 -14.449 455 H MET 55 H MET 55 2.844 4.497 -12.539 456 HA MET 55 HA MET 55 2.972 2.945 -10.066 457 HB2 MET 55 2HB MET 55 4.880 2.828 -11.576 458 HB3 MET 55 1HB MET 55 5.090 4.571 -11.486 459 HG2 MET 55 2HG MET 55 5.952 4.491 -9.346 460 HG3 MET 55 1HG MET 55 5.200 2.937 -8.985 461 HE1 MET 55 3HE MET 55 5.911 1.175 -11.495 462 HE2 MET 55 1HE MET 55 6.060 0.632 -9.824 463 HE3 MET 55 2HE MET 55 7.406 0.418 -10.946 464 H VAL 56 H VAL 56 3.061 3.776 -8.026 465 HA VAL 56 HA VAL 56 1.922 6.399 -7.667 466 HB VAL 56 HB VAL 56 2.873 4.452 -5.550 467 HG11 VAL 56 1HG1 VAL 56 0.927 6.760 -5.391 468 HG12 VAL 56 2HG1 VAL 56 2.539 6.701 -4.678 469 HG13 VAL 56 3HG1 VAL 56 1.274 5.622 -4.091 470 HG21 VAL 56 3HG2 VAL 56 0.535 3.694 -5.444 471 HG22 VAL 56 1HG2 VAL 56 1.263 3.371 -7.019 472 HG23 VAL 56 2HG2 VAL 56 0.145 4.723 -6.823 473 H GLN 57 H GLN 57 2.873 8.241 -6.946 474 HA GLN 57 HA GLN 57 5.790 8.248 -6.627 475 HB2 GLN 57 2HB GLN 57 5.585 10.717 -6.877 476 HB3 GLN 57 1HB GLN 57 4.965 9.821 -8.256 477 HG2 GLN 57 2HG GLN 57 2.693 10.207 -7.556 478 HG3 GLN 57 1HG GLN 57 3.239 10.951 -6.054 479 HE21 GLN 57 1HE2 GLN 57 2.889 11.368 -9.492 480 HE22 GLN 57 2HE2 GLN 57 3.172 13.072 -9.506 481 H PHE 58 H PHE 58 6.652 8.263 -4.643 482 HA PHE 58 HA PHE 58 4.987 9.003 -2.343 483 HB2 PHE 58 2HB PHE 58 7.719 7.689 -2.386 484 HB3 PHE 58 1HB PHE 58 6.670 7.873 -0.984 485 HD1 PHE 58 HD1 PHE 58 4.430 6.675 -0.992 486 HD2 PHE 58 HD2 PHE 58 7.514 5.827 -3.807 487 HE1 PHE 58 HE1 PHE 58 3.380 4.505 -1.493 488 HE2 PHE 58 HE2 PHE 58 6.468 3.660 -4.307 489 HZ PHE 58 HZ PHE 58 4.400 2.997 -3.150 490 H ASN 59 H ASN 59 6.941 10.676 -4.330 491 HA ASN 59 HA ASN 59 8.577 12.065 -2.378 492 HB2 ASN 59 2HB ASN 59 9.415 13.340 -4.283 493 HB3 ASN 59 1HB ASN 59 9.430 11.616 -4.640 494 HD21 ASN 59 1HD2 ASN 59 8.065 14.679 -5.403 495 HD22 ASN 59 2HD2 ASN 59 7.198 14.176 -6.813 496 H THR 60 H THR 60 5.395 12.266 -3.008 497 HA THR 60 HA THR 60 5.225 15.199 -2.735 498 HB THR 60 HB THR 60 3.863 14.476 -4.553 499 HG1 THR 60 HG1 THR 60 2.197 15.610 -3.892 500 HG21 THR 60 3HG2 THR 60 2.605 12.452 -2.689 501 HG22 THR 60 1HG2 THR 60 3.731 12.089 -3.999 502 HG23 THR 60 2HG2 THR 60 2.140 12.754 -4.362 503 H ASP 61 H ASP 61 3.830 16.116 -1.134 504 HA ASP 61 HA ASP 61 4.029 14.816 1.395 505 HB2 ASP 61 2HB ASP 61 4.100 17.318 0.949 506 HB3 ASP 61 1HB ASP 61 2.353 17.252 0.747 507 H ARG 62 H ARG 62 1.653 14.841 -1.088 508 HA ARG 62 HA ARG 62 -0.635 14.186 0.486 509 HB2 ARG 62 2HB ARG 62 -0.099 13.703 -2.455 510 HB3 ARG 62 1HB ARG 62 -1.667 13.544 -1.670 511 HG2 ARG 62 2HG ARG 62 -1.588 15.950 -1.098 512 HG3 ARG 62 1HG ARG 62 -0.061 16.084 -1.977 513 HD2 ARG 62 2HD ARG 62 -1.214 15.306 -4.027 514 HD3 ARG 62 1HD ARG 62 -2.734 15.268 -3.132 515 HE ARG 62 HE ARG 62 -1.556 17.827 -2.941 516 HH11 ARG 62 1HH1 ARG 62 -3.298 15.807 -5.125 517 HH12 ARG 62 2HH1 ARG 62 -3.887 17.144 -6.047 518 HH21 ARG 62 1HH2 ARG 62 -2.342 19.528 -4.153 519 HH22 ARG 62 2HH2 ARG 62 -3.341 19.201 -5.525 520 H ILE 63 H ILE 63 1.952 12.281 -0.939 521 HA ILE 63 HA ILE 63 0.546 9.806 -0.127 522 HB ILE 63 HB ILE 63 2.642 10.109 -2.291 523 HG12 ILE 63 2HG1 ILE 63 0.468 11.071 -2.944 524 HG13 ILE 63 1HG1 ILE 63 0.823 9.615 -3.869 525 HG21 ILE 63 1HG2 ILE 63 2.148 7.761 -2.828 526 HG22 ILE 63 2HG2 ILE 63 1.062 7.675 -1.440 527 HG23 ILE 63 3HG2 ILE 63 2.790 7.937 -1.195 528 HD11 ILE 63 3HD1 ILE 63 -1.512 9.699 -3.204 529 HD12 ILE 63 1HD1 ILE 63 -1.041 9.796 -1.507 530 HD13 ILE 63 2HD1 ILE 63 -0.692 8.339 -2.438 531 H SER 64 H SER 64 1.438 8.671 1.476 532 HA SER 64 HA SER 64 4.339 8.869 1.963 533 HB2 SER 64 2HB SER 64 2.212 9.154 4.104 534 HB3 SER 64 1HB SER 64 3.949 9.069 4.393 535 HG SER 64 HG SER 64 3.534 10.975 2.593 536 H LEU 65 H LEU 65 5.293 6.957 2.410 537 HA LEU 65 HA LEU 65 3.569 4.662 3.123 538 HB2 LEU 65 2HB LEU 65 4.253 4.489 0.790 539 HB3 LEU 65 1HB LEU 65 5.936 4.702 1.238 540 HG LEU 65 HG LEU 65 5.809 2.548 2.518 541 HD11 LEU 65 1HD1 LEU 65 3.419 2.465 2.917 542 HD12 LEU 65 2HD1 LEU 65 3.949 1.022 2.054 543 HD13 LEU 65 3HD1 LEU 65 3.111 2.308 1.187 544 HD21 LEU 65 3HD2 LEU 65 5.161 2.372 -0.429 545 HD22 LEU 65 1HD2 LEU 65 5.913 1.108 0.546 546 HD23 LEU 65 2HD2 LEU 65 6.759 2.630 0.272 547 H TYR 66 H TYR 66 4.192 3.512 4.875 548 HA TYR 66 HA TYR 66 7.028 3.467 5.601 549 HB2 TYR 66 2HB TYR 66 6.704 4.044 7.886 550 HB3 TYR 66 1HB TYR 66 5.864 5.271 6.952 551 HD1 TYR 66 HD2 TYR 66 3.394 5.361 6.941 552 HD2 TYR 66 HD1 TYR 66 5.497 2.538 9.342 553 HE1 TYR 66 HE2 TYR 66 1.358 4.973 8.267 554 HE2 TYR 66 HE1 TYR 66 3.469 2.145 10.669 555 HH TYR 66 HH TYR 66 0.413 3.138 9.705 556 H GLN 67 H GLN 67 7.707 1.590 6.596 557 HA GLN 67 HA GLN 67 5.660 -0.481 7.057 558 HB2 GLN 67 2HB GLN 67 7.208 -2.165 6.182 559 HB3 GLN 67 1HB GLN 67 6.841 -0.948 4.972 560 HG2 GLN 67 2HG GLN 67 9.029 0.165 5.634 561 HG3 GLN 67 1HG GLN 67 9.391 -1.318 6.516 562 HE21 GLN 67 1HE2 GLN 67 9.530 -3.288 5.296 563 HE22 GLN 67 2HE2 GLN 67 9.974 -3.247 3.629 564 H ASP 68 H ASP 68 5.747 -1.495 8.957 565 HA ASP 68 HA ASP 68 7.489 -0.381 10.975 566 HB2 ASP 68 2HB ASP 68 4.983 -0.767 11.190 567 HB3 ASP 68 1HB ASP 68 5.342 -2.485 11.324 568 H ASN 69 H ASN 69 8.626 -1.692 12.565 569 HA ASN 69 HA ASN 69 10.389 -3.574 11.479 570 HB2 ASN 69 2HB ASN 69 10.882 -2.241 13.493 571 HB3 ASN 69 1HB ASN 69 9.663 -3.140 14.392 572 HD21 ASN 69 1HD2 ASN 69 12.813 -3.277 12.921 573 HD22 ASN 69 2HD2 ASN 69 13.323 -4.734 13.693 574 H THR 70 H THR 70 7.282 -4.038 13.072 575 HA THR 70 HA THR 70 7.559 -6.897 13.345 576 HB THR 70 HB THR 70 6.059 -5.594 14.834 577 HG1 THR 70 HG1 THR 70 4.738 -7.279 15.014 578 HG21 THR 70 3HG2 THR 70 4.309 -5.330 12.378 579 HG22 THR 70 1HG2 THR 70 5.168 -4.012 13.176 580 HG23 THR 70 2HG2 THR 70 3.870 -4.858 14.019 581 H GLY 71 H GLY 71 7.342 -5.136 10.614 582 HA2 GLY 71 2HA GLY 71 7.019 -5.924 8.438 583 HA3 GLY 71 1HA GLY 71 6.223 -7.347 9.090 584 H ARG 72 H ARG 72 5.129 -4.259 10.202 585 HA ARG 72 HA ARG 72 2.549 -4.675 8.911 586 HB2 ARG 72 2HB ARG 72 2.639 -4.065 11.286 587 HB3 ARG 72 1HB ARG 72 3.472 -2.570 10.886 588 HG2 ARG 72 2HG ARG 72 1.480 -1.816 9.643 589 HG3 ARG 72 1HG ARG 72 0.650 -3.307 10.101 590 HD2 ARG 72 2HD ARG 72 0.918 -2.704 12.475 591 HD3 ARG 72 1HD ARG 72 1.712 -1.204 11.997 592 HE ARG 72 HE ARG 72 -0.941 -1.592 10.911 593 HH11 ARG 72 1HH1 ARG 72 0.972 -0.246 13.438 594 HH12 ARG 72 2HH1 ARG 72 -0.257 0.869 13.930 595 HH21 ARG 72 1HH2 ARG 72 -2.525 -0.174 11.554 596 HH22 ARG 72 2HH2 ARG 72 -2.221 0.907 12.872 597 H VAL 73 H VAL 73 2.285 -3.934 6.892 598 HA VAL 73 HA VAL 73 3.778 -1.579 5.971 599 HB VAL 73 HB VAL 73 2.068 -3.534 4.408 600 HG11 VAL 73 1HG1 VAL 73 3.946 -1.371 3.450 601 HG12 VAL 73 2HG1 VAL 73 2.186 -1.357 3.316 602 HG13 VAL 73 3HG1 VAL 73 3.130 -2.550 2.422 603 HG21 VAL 73 3HG2 VAL 73 4.193 -4.459 3.607 604 HG22 VAL 73 1HG2 VAL 73 4.055 -4.604 5.360 605 HG23 VAL 73 2HG2 VAL 73 5.077 -3.350 4.656 606 H THR 74 H THR 74 2.826 0.385 5.714 607 HA THR 74 HA THR 74 -0.109 0.518 5.426 608 HB THR 74 HB THR 74 1.453 2.288 7.327 609 HG1 THR 74 HG1 THR 74 0.212 -0.148 7.662 610 HG21 THR 74 3HG2 THR 74 -0.486 3.411 6.308 611 HG22 THR 74 1HG2 THR 74 -0.757 3.099 8.024 612 HG23 THR 74 2HG2 THR 74 -1.525 2.076 6.811 613 H LEU 75 H LEU 75 -0.640 1.681 3.704 614 HA LEU 75 HA LEU 75 1.144 3.809 2.737 615 HB2 LEU 75 2HB LEU 75 0.510 2.120 1.090 616 HB3 LEU 75 1HB LEU 75 -1.189 2.425 1.401 617 HG LEU 75 HG LEU 75 -0.892 4.748 0.533 618 HD11 LEU 75 1HD1 LEU 75 1.116 5.318 -0.719 619 HD12 LEU 75 2HD1 LEU 75 1.853 3.782 -0.265 620 HD13 LEU 75 3HD1 LEU 75 1.503 4.991 0.971 621 HD21 LEU 75 3HD2 LEU 75 -0.106 2.554 -1.387 622 HD22 LEU 75 1HD2 LEU 75 -0.766 4.130 -1.828 623 HD23 LEU 75 2HD2 LEU 75 -1.752 2.984 -0.920 624 H LEU 76 H LEU 76 0.557 5.908 2.800 625 HA LEU 76 HA LEU 76 -2.119 6.590 3.861 626 HB2 LEU 76 2HB LEU 76 0.450 8.175 4.116 627 HB3 LEU 76 1HB LEU 76 -1.088 8.555 4.868 628 HG LEU 76 HG LEU 76 0.591 6.121 5.503 629 HD11 LEU 76 1HD1 LEU 76 1.087 7.249 7.619 630 HD12 LEU 76 2HD1 LEU 76 0.230 8.684 7.054 631 HD13 LEU 76 3HD1 LEU 76 1.700 8.156 6.236 632 HD21 LEU 76 3HD2 LEU 76 -0.933 5.852 7.405 633 HD22 LEU 76 1HD2 LEU 76 -1.782 5.731 5.865 634 HD23 LEU 76 2HD2 LEU 76 -1.897 7.209 6.821 635 H ILE 77 H ILE 77 -3.398 7.487 2.373 636 HA ILE 77 HA ILE 77 -2.188 9.134 0.234 637 HB ILE 77 HB ILE 77 -4.805 7.607 0.196 638 HG12 ILE 77 2HG1 ILE 77 -2.203 7.099 -1.289 639 HG13 ILE 77 1HG1 ILE 77 -2.776 6.176 0.094 640 HG21 ILE 77 1HG2 ILE 77 -3.463 9.203 -1.998 641 HG22 ILE 77 2HG2 ILE 77 -4.933 9.658 -1.135 642 HG23 ILE 77 3HG2 ILE 77 -4.928 8.234 -2.174 643 HD11 ILE 77 3HD1 ILE 77 -4.129 6.354 -2.587 644 HD12 ILE 77 1HD1 ILE 77 -4.691 5.413 -1.204 645 HD13 ILE 77 2HD1 ILE 77 -3.166 5.003 -1.990 646 H LYS 78 H LYS 78 -2.488 11.235 0.517 647 HA LYS 78 HA LYS 78 -4.771 12.207 2.121 648 HB2 LYS 78 2HB LYS 78 -2.117 13.598 1.677 649 HB3 LYS 78 1HB LYS 78 -3.366 14.028 2.840 650 HG2 LYS 78 2HG LYS 78 -2.916 12.027 4.126 651 HG3 LYS 78 1HG LYS 78 -1.756 11.474 2.914 652 HD2 LYS 78 2HD LYS 78 -0.434 13.575 3.369 653 HD3 LYS 78 1HD LYS 78 -1.521 13.883 4.724 654 HE2 LYS 78 2HE LYS 78 -0.868 11.709 5.703 655 HE3 LYS 78 1HE LYS 78 0.261 11.467 4.370 656 HZ1 LYS 78 3HZ LYS 78 1.434 12.315 6.259 657 HZ2 LYS 78 1HZ LYS 78 0.363 13.617 6.411 658 HZ3 LYS 78 2HZ LYS 78 1.393 13.526 5.077 659 H ASP 79 H ASP 79 -5.851 14.115 1.456 660 HA ASP 79 HA ASP 79 -6.699 15.692 0.050 661 HB2 ASP 79 2HB ASP 79 -4.191 16.368 0.311 662 HB3 ASP 79 1HB ASP 79 -4.031 15.815 -1.350 663 H VAL 80 H VAL 80 -6.943 12.923 -0.708 664 HA VAL 80 HA VAL 80 -6.463 12.675 -3.548 665 HB VAL 80 HB VAL 80 -6.284 10.782 -1.883 666 HG11 VAL 80 1HG1 VAL 80 -9.294 10.819 -2.013 667 HG12 VAL 80 2HG1 VAL 80 -8.314 11.220 -0.600 668 HG13 VAL 80 3HG1 VAL 80 -8.301 9.579 -1.246 669 HG21 VAL 80 3HG2 VAL 80 -8.111 10.343 -4.240 670 HG22 VAL 80 1HG2 VAL 80 -7.221 9.085 -3.380 671 HG23 VAL 80 2HG2 VAL 80 -6.348 10.337 -4.260 672 H ASN 81 H ASN 81 -7.926 13.038 -5.189 673 HA ASN 81 HA ASN 81 -10.757 13.355 -4.410 674 HB2 ASN 81 2HB ASN 81 -11.097 15.195 -5.810 675 HB3 ASN 81 1HB ASN 81 -9.562 15.528 -5.029 676 HD21 ASN 81 1HD2 ASN 81 -8.126 13.631 -6.863 677 HD22 ASN 81 2HD2 ASN 81 -7.996 14.516 -8.329 678 H LYS 82 H LYS 82 -12.038 13.497 -6.761 679 HA LYS 82 HA LYS 82 -12.410 10.839 -7.408 680 HB2 LYS 82 2HB LYS 82 -13.075 13.281 -9.063 681 HB3 LYS 82 1HB LYS 82 -13.733 11.675 -9.347 682 HG2 LYS 82 2HG LYS 82 -14.093 13.249 -6.799 683 HG3 LYS 82 1HG LYS 82 -15.270 13.171 -8.112 684 HD2 LYS 82 2HD LYS 82 -14.250 10.746 -6.620 685 HD3 LYS 82 1HD LYS 82 -15.718 11.621 -6.183 686 HE2 LYS 82 2HE LYS 82 -16.727 11.113 -8.295 687 HE3 LYS 82 1HE LYS 82 -15.228 10.408 -8.901 688 HZ1 LYS 82 3HZ LYS 82 -16.917 9.340 -6.706 689 HZ2 LYS 82 1HZ LYS 82 -15.431 8.687 -7.182 690 HZ3 LYS 82 2HZ LYS 82 -16.738 8.680 -8.249 691 H LYS 83 H LYS 83 -10.010 12.969 -8.731 692 HA LYS 83 HA LYS 83 -9.517 11.565 -11.170 693 HB2 LYS 83 2HB LYS 83 -7.656 13.362 -9.601 694 HB3 LYS 83 1HB LYS 83 -7.452 12.886 -11.279 695 HG2 LYS 83 2HG LYS 83 -9.652 14.612 -10.152 696 HG3 LYS 83 1HG LYS 83 -8.300 15.139 -11.160 697 HD2 LYS 83 2HD LYS 83 -9.150 13.651 -12.968 698 HD3 LYS 83 1HD LYS 83 -10.545 13.286 -11.952 699 HE2 LYS 83 2HE LYS 83 -11.138 14.994 -13.564 700 HE3 LYS 83 1HE LYS 83 -11.135 15.683 -11.943 701 HZ1 LYS 83 3HZ LYS 83 -10.076 17.164 -13.515 702 HZ2 LYS 83 1HZ LYS 83 -8.965 15.966 -13.954 703 HZ3 LYS 83 2HZ LYS 83 -8.940 16.611 -12.392 704 H ASP 84 H ASP 84 -8.460 11.062 -7.890 705 HA ASP 84 HA ASP 84 -6.034 9.659 -8.719 706 HB2 ASP 84 2HB ASP 84 -6.941 10.409 -5.938 707 HB3 ASP 84 1HB ASP 84 -5.333 9.866 -6.416 708 H ALA 85 H ALA 85 -9.147 8.624 -8.189 709 HA ALA 85 HA ALA 85 -8.577 6.421 -6.413 710 HB1 ALA 85 3HB ALA 85 -10.885 5.740 -6.833 711 HB2 ALA 85 1HB ALA 85 -11.007 6.933 -8.126 712 HB3 ALA 85 2HB ALA 85 -10.786 7.462 -6.459 713 H GLY 86 H GLY 86 -8.423 4.238 -6.898 714 HA2 GLY 86 2HA GLY 86 -8.796 3.025 -9.399 715 HA3 GLY 86 1HA GLY 86 -7.111 3.517 -9.293 716 H TRP 87 H TRP 87 -7.132 0.992 -9.579 717 HA TRP 87 HA TRP 87 -7.205 -0.354 -6.980 718 HB2 TRP 87 2HB TRP 87 -6.826 -1.277 -9.811 719 HB3 TRP 87 1HB TRP 87 -6.299 -2.309 -8.484 720 HD1 TRP 87 HD1 TRP 87 -9.545 -0.610 -9.765 721 HE1 TRP 87 HE1 TRP 87 -11.540 -2.056 -9.024 722 HE3 TRP 87 HE3 TRP 87 -7.033 -4.078 -6.975 723 HZ2 TRP 87 HZ2 TRP 87 -11.987 -4.366 -7.474 724 HZ3 TRP 87 HZ3 TRP 87 -8.319 -5.881 -5.898 725 HH2 TRP 87 HH2 TRP 87 -10.751 -6.021 -6.143 726 H TYR 88 H TYR 88 -5.513 -0.397 -5.669 727 HA TYR 88 HA TYR 88 -2.849 0.321 -6.670 728 HB2 TYR 88 2HB TYR 88 -4.035 0.265 -3.889 729 HB3 TYR 88 1HB TYR 88 -2.322 0.543 -4.192 730 HD1 TYR 88 HD1 TYR 88 -5.687 1.867 -5.157 731 HD2 TYR 88 HD2 TYR 88 -1.566 2.720 -4.501 732 HE1 TYR 88 HE1 TYR 88 -6.131 4.261 -5.495 733 HE2 TYR 88 HE2 TYR 88 -2.003 5.114 -4.837 734 HH TYR 88 HH TYR 88 -5.150 6.424 -4.943 735 H THR 89 H THR 89 -1.470 -1.266 -7.120 736 HA THR 89 HA THR 89 -1.771 -3.905 -5.873 737 HB THR 89 HB THR 89 -0.003 -3.069 -8.190 738 HG1 THR 89 HG1 THR 89 -2.294 -4.696 -8.457 739 HG21 THR 89 3HG2 THR 89 -0.728 -5.816 -7.155 740 HG22 THR 89 1HG2 THR 89 0.856 -5.046 -7.043 741 HG23 THR 89 2HG2 THR 89 0.198 -5.486 -8.619 742 H VAL 90 H VAL 90 -0.451 -4.508 -4.252 743 HA VAL 90 HA VAL 90 2.053 -3.013 -3.823 744 HB VAL 90 HB VAL 90 0.569 -2.813 -1.939 745 HG11 VAL 90 1HG1 VAL 90 0.529 -5.832 -1.806 746 HG12 VAL 90 2HG1 VAL 90 -0.815 -4.796 -2.286 747 HG13 VAL 90 3HG1 VAL 90 -0.203 -4.736 -0.633 748 HG21 VAL 90 3HG2 VAL 90 2.832 -4.719 -1.318 749 HG22 VAL 90 1HG2 VAL 90 2.001 -3.699 -0.143 750 HG23 VAL 90 2HG2 VAL 90 2.949 -2.964 -1.436 751 H SER 91 H SER 91 3.853 -4.000 -4.397 752 HA SER 91 HA SER 91 4.035 -6.947 -4.276 753 HB2 SER 91 2HB SER 91 5.596 -4.953 -5.949 754 HB3 SER 91 1HB SER 91 5.964 -6.676 -5.869 755 HG SER 91 HG SER 91 3.940 -7.115 -6.749 756 H ALA 92 H ALA 92 5.219 -7.789 -2.682 757 HA ALA 92 HA ALA 92 7.354 -6.146 -1.461 758 HB1 ALA 92 3HB ALA 92 5.535 -6.787 0.067 759 HB2 ALA 92 1HB ALA 92 7.079 -7.490 0.547 760 HB3 ALA 92 2HB ALA 92 5.868 -8.489 -0.258 761 H VAL 93 H VAL 93 9.369 -6.708 -2.050 762 HA VAL 93 HA VAL 93 9.853 -9.521 -2.837 763 HB VAL 93 HB VAL 93 9.979 -8.057 -4.763 764 HG11 VAL 93 1HG1 VAL 93 12.157 -6.563 -3.303 765 HG12 VAL 93 2HG1 VAL 93 10.532 -5.964 -3.627 766 HG13 VAL 93 3HG1 VAL 93 11.637 -6.280 -4.964 767 HG21 VAL 93 3HG2 VAL 93 11.462 -9.978 -4.748 768 HG22 VAL 93 1HG2 VAL 93 12.702 -9.052 -3.901 769 HG23 VAL 93 2HG2 VAL 93 12.252 -8.623 -5.551 770 H ASN 94 H ASN 94 11.001 -10.589 -1.420 771 HA ASN 94 HA ASN 94 13.362 -9.339 -0.149 772 HB2 ASN 94 2HB ASN 94 11.609 -10.222 1.405 773 HB3 ASN 94 1HB ASN 94 11.821 -11.818 0.705 774 HD21 ASN 94 1HD2 ASN 94 12.169 -10.888 3.448 775 HD22 ASN 94 2HD2 ASN 94 13.788 -11.287 3.884 776 H GLU 95 H GLU 95 15.371 -10.611 -0.180 777 HA GLU 95 HA GLU 95 15.895 -11.973 -2.589 778 HB2 GLU 95 2HB GLU 95 18.043 -12.598 -1.620 779 HB3 GLU 95 1HB GLU 95 17.669 -10.925 -1.232 780 HG2 GLU 95 2HG GLU 95 17.128 -11.485 1.025 781 HG3 GLU 95 1HG GLU 95 17.178 -13.210 0.667 782 H ALA 96 H ALA 96 14.720 -13.105 0.482 783 HA ALA 96 HA ALA 96 15.086 -15.895 0.042 784 HB1 ALA 96 3HB ALA 96 13.125 -14.486 1.855 785 HB2 ALA 96 1HB ALA 96 14.782 -14.931 2.273 786 HB3 ALA 96 2HB ALA 96 13.588 -16.187 1.941 787 H GLY 97 H GLY 97 12.526 -13.632 -0.834 788 HA2 GLY 97 2HA GLY 97 11.375 -15.292 -2.778 789 HA3 GLY 97 1HA GLY 97 10.456 -15.503 -1.297 790 H VAL 98 H VAL 98 9.063 -14.577 -3.390 791 HA VAL 98 HA VAL 98 8.649 -11.723 -2.758 792 HB VAL 98 HB VAL 98 9.874 -11.814 -4.871 793 HG11 VAL 98 1HG1 VAL 98 8.901 -12.842 -6.874 794 HG12 VAL 98 2HG1 VAL 98 7.579 -13.489 -5.902 795 HG13 VAL 98 3HG1 VAL 98 9.231 -14.042 -5.623 796 HG21 VAL 98 3HG2 VAL 98 8.331 -10.510 -6.263 797 HG22 VAL 98 1HG2 VAL 98 8.236 -10.028 -4.569 798 HG23 VAL 98 2HG2 VAL 98 6.975 -11.045 -5.269 799 H THR 99 H THR 99 6.562 -11.026 -2.643 800 HA THR 99 HA THR 99 4.371 -12.751 -3.563 801 HB THR 99 HB THR 99 4.622 -13.426 -1.243 802 HG1 THR 99 HG1 THR 99 2.505 -12.763 -0.499 803 HG21 THR 99 3HG2 THR 99 5.788 -11.473 -0.360 804 HG22 THR 99 1HG2 THR 99 4.350 -11.817 0.603 805 HG23 THR 99 2HG2 THR 99 4.336 -10.492 -0.560 806 H THR 100 H THR 100 2.459 -11.633 -4.094 807 HA THR 100 HA THR 100 2.491 -8.700 -3.773 808 HB THR 100 HB THR 100 2.061 -10.124 -6.414 809 HG1 THR 100 HG1 THR 100 4.272 -9.345 -5.304 810 HG21 THR 100 3HG2 THR 100 0.529 -8.222 -6.210 811 HG22 THR 100 1HG2 THR 100 1.802 -7.881 -7.381 812 HG23 THR 100 2HG2 THR 100 1.879 -7.174 -5.768 813 H CYS 101 H CYS 101 0.500 -7.675 -3.701 814 HA CYS 101 HA CYS 101 -1.938 -9.271 -4.079 815 HB2 CYS 101 2HB CYS 101 -1.444 -9.472 -1.691 816 HB3 CYS 101 1HB CYS 101 -1.311 -7.723 -1.550 817 HG CYS 101 HG CYS 101 -4.098 -9.633 -1.863 818 H ASN 102 H ASN 102 -3.868 -7.987 -4.394 819 HA ASN 102 HA ASN 102 -3.271 -5.241 -5.291 820 HB2 ASN 102 2HB ASN 102 -5.381 -7.207 -6.197 821 HB3 ASN 102 1HB ASN 102 -5.376 -5.512 -6.676 822 HD21 ASN 102 1HD2 ASN 102 -5.117 -6.049 -8.842 823 HD22 ASN 102 2HD2 ASN 102 -3.628 -6.659 -9.471 824 H THR 103 H THR 103 -4.617 -3.531 -4.793 825 HA THR 103 HA THR 103 -6.584 -3.943 -2.621 826 HB THR 103 HB THR 103 -4.721 -1.553 -2.806 827 HG1 THR 103 HG1 THR 103 -3.385 -3.248 -2.307 828 HG21 THR 103 3HG2 THR 103 -6.811 -1.189 -1.562 829 HG22 THR 103 1HG2 THR 103 -5.414 -1.169 -0.483 830 HG23 THR 103 2HG2 THR 103 -6.455 -2.592 -0.553 831 H ARG 104 H ARG 104 -8.406 -2.570 -2.676 832 HA ARG 104 HA ARG 104 -8.683 -0.938 -5.123 833 HB2 ARG 104 2HB ARG 104 -10.293 -2.748 -5.022 834 HB3 ARG 104 1HB ARG 104 -10.785 -2.271 -3.403 835 HG2 ARG 104 2HG ARG 104 -11.730 -0.208 -4.251 836 HG3 ARG 104 1HG ARG 104 -11.152 -0.579 -5.876 837 HD2 ARG 104 2HD ARG 104 -12.619 -2.480 -6.022 838 HD3 ARG 104 1HD ARG 104 -13.100 -2.292 -4.335 839 HE ARG 104 HE ARG 104 -13.863 0.044 -5.283 840 HH11 ARG 104 1HH1 ARG 104 -14.242 -3.083 -6.675 841 HH12 ARG 104 2HH1 ARG 104 -15.693 -2.656 -7.509 842 HH21 ARG 104 1HH2 ARG 104 -15.734 0.575 -6.319 843 HH22 ARG 104 2HH2 ARG 104 -16.532 -0.599 -7.305 844 H LEU 105 H LEU 105 -9.105 1.208 -4.988 845 HA LEU 105 HA LEU 105 -10.005 2.313 -2.407 846 HB2 LEU 105 2HB LEU 105 -7.605 2.739 -2.591 847 HB3 LEU 105 1HB LEU 105 -7.836 3.468 -4.170 848 HG LEU 105 HG LEU 105 -9.198 5.267 -3.101 849 HD11 LEU 105 1HD1 LEU 105 -9.947 4.053 -1.124 850 HD12 LEU 105 2HD1 LEU 105 -9.118 5.541 -0.669 851 HD13 LEU 105 3HD1 LEU 105 -8.292 3.990 -0.518 852 HD21 LEU 105 3HD2 LEU 105 -6.398 4.934 -2.018 853 HD22 LEU 105 1HD2 LEU 105 -7.304 6.447 -2.080 854 HD23 LEU 105 2HD2 LEU 105 -6.839 5.637 -3.575 855 H ASP 106 H ASP 106 -11.735 3.590 -2.588 856 HA ASP 106 HA ASP 106 -12.402 4.709 -5.239 857 HB2 ASP 106 2HB ASP 106 -14.246 3.798 -3.017 858 HB3 ASP 106 1HB ASP 106 -14.784 4.652 -4.458 859 H VAL 107 H VAL 107 -13.219 6.814 -5.355 860 HA VAL 107 HA VAL 107 -13.175 8.395 -2.860 861 HB VAL 107 HB VAL 107 -12.377 9.412 -5.607 862 HG11 VAL 107 1HG1 VAL 107 -12.353 10.774 -2.907 863 HG12 VAL 107 2HG1 VAL 107 -13.438 11.136 -4.250 864 HG13 VAL 107 3HG1 VAL 107 -11.710 11.453 -4.402 865 HG21 VAL 107 3HG2 VAL 107 -10.681 7.904 -4.665 866 HG22 VAL 107 1HG2 VAL 107 -10.647 8.866 -3.186 867 HG23 VAL 107 2HG2 VAL 107 -10.108 9.571 -4.710 868 H THR 108 H THR 108 -14.737 10.047 -2.692 869 HA THR 108 HA THR 108 -17.043 9.757 -4.518 870 HB THR 108 HB THR 108 -17.179 10.201 -1.522 871 HG1 THR 108 HG1 THR 108 -16.509 8.035 -2.415 872 HG21 THR 108 3HG2 THR 108 -19.582 9.747 -1.797 873 HG22 THR 108 1HG2 THR 108 -19.357 9.626 -3.542 874 HG23 THR 108 2HG2 THR 108 -19.088 11.165 -2.722 875 H ALA 109 H ALA 109 -18.146 11.611 -5.083 876 HA ALA 109 HA ALA 109 -16.663 14.053 -4.878 877 HB1 ALA 109 3HB ALA 109 -18.401 15.002 -6.304 878 HB2 ALA 109 1HB ALA 109 -19.385 13.553 -6.087 879 HB3 ALA 109 2HB ALA 109 -17.841 13.452 -6.935 880 H ARG 110 H ARG 110 -17.129 15.882 -3.751 881 HA ARG 110 HA ARG 110 -18.747 15.573 -1.378 882 HB2 ARG 110 2HB ARG 110 -17.155 17.932 -2.411 883 HB3 ARG 110 1HB ARG 110 -17.954 17.882 -0.843 884 HG2 ARG 110 2HG ARG 110 -16.545 16.030 -0.152 885 HG3 ARG 110 1HG ARG 110 -15.780 15.995 -1.743 886 HD2 ARG 110 2HD ARG 110 -14.344 17.142 -0.182 887 HD3 ARG 110 1HD ARG 110 -14.958 18.291 -1.366 888 HE ARG 110 HE ARG 110 -16.695 18.599 0.655 889 HH11 ARG 110 1HH1 ARG 110 -13.261 18.442 0.614 890 HH12 ARG 110 2HH1 ARG 110 -13.078 19.520 1.950 891 HH21 ARG 110 1HH2 ARG 110 -16.454 19.990 2.391 892 HH22 ARG 110 2HH2 ARG 110 -14.863 20.391 2.945 893 HA PRO 111 HA PRO 111 -22.482 17.517 -2.924 894 HB2 PRO 111 2HB PRO 111 -23.572 18.296 -0.540 895 HB3 PRO 111 1HB PRO 111 -23.591 16.622 -1.109 896 HG2 PRO 111 2HG PRO 111 -21.734 17.937 0.845 897 HG3 PRO 111 1HG PRO 111 -22.509 16.345 0.938 898 HD2 PRO 111 2HD PRO 111 -19.932 16.656 0.184 899 HD3 PRO 111 1HD PRO 111 -20.961 15.367 -0.473 900 H ASN 112 H ASN 112 -20.202 19.125 -0.861 901 HA ASN 112 HA ASN 112 -20.418 21.566 -2.373 902 HB2 ASN 112 2HB ASN 112 -22.179 21.902 -0.656 903 HB3 ASN 112 1HB ASN 112 -20.993 21.613 0.612 904 HD21 ASN 112 1HD2 ASN 112 -22.065 23.822 -1.858 905 HD22 ASN 112 2HD2 ASN 112 -21.183 25.189 -1.278 906 H GLN 113 H GLN 113 -18.404 22.517 -2.493 907 HA GLN 113 HA GLN 113 -16.258 21.093 -1.088 908 HB2 GLN 113 2HB GLN 113 -16.144 22.978 -3.453 909 HB3 GLN 113 1HB GLN 113 -14.769 22.114 -2.776 910 HG2 GLN 113 2HG GLN 113 -15.849 19.977 -3.326 911 HG3 GLN 113 1HG GLN 113 -17.204 20.857 -4.034 912 HE21 GLN 113 1HE2 GLN 113 -13.873 19.957 -4.396 913 HE22 GLN 113 2HE2 GLN 113 -13.732 20.389 -6.063 914 H THR 114 H THR 114 -14.219 22.547 -0.702 915 HA THR 114 HA THR 114 -14.889 24.366 1.374 916 HB THR 114 HB THR 114 -12.464 24.837 1.515 917 HG1 THR 114 HG1 THR 114 -11.117 24.291 -0.057 918 HG21 THR 114 3HG2 THR 114 -11.716 22.551 2.023 919 HG22 THR 114 1HG2 THR 114 -13.110 21.904 1.158 920 HG23 THR 114 2HG2 THR 114 -13.345 22.846 2.632 921 H LEU 115 H LEU 115 -15.241 26.492 1.335 922 HA LEU 115 HA LEU 115 -15.588 28.607 0.591 923 HB2 LEU 115 2HB LEU 115 -13.004 28.339 0.477 924 HB3 LEU 115 1HB LEU 115 -13.234 28.295 -1.259 925 HG LEU 115 HG LEU 115 -14.039 30.602 0.538 926 HD11 LEU 115 1HD1 LEU 115 -11.630 30.372 0.451 927 HD12 LEU 115 2HD1 LEU 115 -12.143 31.783 -0.476 928 HD13 LEU 115 3HD1 LEU 115 -11.674 30.301 -1.309 929 HD21 LEU 115 3HD2 LEU 115 -14.313 31.855 -1.566 930 HD22 LEU 115 1HD2 LEU 115 -15.436 30.500 -1.452 931 HD23 LEU 115 2HD2 LEU 115 -14.008 30.376 -2.478 932 HA PRO 116 HA PRO 116 -17.613 27.452 -3.373 933 HB2 PRO 116 2HB PRO 116 -20.175 27.575 -2.543 934 HB3 PRO 116 1HB PRO 116 -19.168 26.145 -2.289 935 HG2 PRO 116 2HG PRO 116 -20.017 28.231 -0.350 936 HG3 PRO 116 1HG PRO 116 -19.689 26.512 -0.083 937 HD2 PRO 116 2HD PRO 116 -17.944 28.673 0.462 938 HD3 PRO 116 1HD PRO 116 -17.533 26.948 0.485 Start of MODEL 17 1 H1 MET 1 1H MET 1 41.952 -28.153 22.687 2 H2 MET 1 2H MET 1 40.510 -28.759 23.322 3 H3 MET 1 3H MET 1 40.844 -27.104 23.420 4 HA MET 1 HA MET 1 39.251 -27.445 21.698 5 HB2 MET 1 2HB MET 1 41.992 -26.956 20.505 6 HB3 MET 1 1HB MET 1 40.457 -26.478 19.793 7 HG2 MET 1 2HG MET 1 40.057 -24.953 21.655 8 HG3 MET 1 1HG MET 1 41.582 -25.446 22.392 9 HE1 MET 1 3HE MET 1 42.409 -21.828 21.216 10 HE2 MET 1 1HE MET 1 42.424 -22.963 22.565 11 HE3 MET 1 2HE MET 1 40.889 -22.415 21.889 12 H GLY 2 H GLY 2 38.268 -29.110 20.715 13 HA2 GLY 2 2HA GLY 2 39.810 -31.335 19.624 14 HA3 GLY 2 1HA GLY 2 38.059 -31.218 19.711 15 H HIS 3 H HIS 3 37.725 -31.820 17.547 16 HA HIS 3 HA HIS 3 38.992 -30.327 15.416 17 HB2 HIS 3 2HB HIS 3 38.472 -32.706 15.109 18 HB3 HIS 3 1HB HIS 3 36.756 -32.370 15.319 19 HD1 HIS 3 HD1 HIS 3 39.590 -31.754 12.894 20 HD2 HIS 3 HD2 HIS 3 35.442 -31.556 13.039 21 HE1 HIS 3 HE1 HIS 3 38.853 -31.288 10.539 22 HE2 HIS 3 HE2 HIS 3 36.346 -31.183 10.647 23 H HIS 4 H HIS 4 37.999 -28.859 14.012 24 HA HIS 4 HA HIS 4 35.618 -27.531 15.127 25 HB2 HIS 4 2HB HIS 4 37.749 -26.475 13.244 26 HB3 HIS 4 1HB HIS 4 36.387 -25.545 13.866 27 HD1 HIS 4 HD1 HIS 4 39.443 -27.391 15.199 28 HD2 HIS 4 HD2 HIS 4 36.898 -24.265 16.206 29 HE1 HIS 4 HE1 HIS 4 40.416 -26.374 17.273 30 HE2 HIS 4 HE2 HIS 4 38.961 -24.387 17.758 31 H HIS 5 H HIS 5 33.797 -28.277 14.165 32 HA HIS 5 HA HIS 5 33.735 -29.096 11.402 33 HB2 HIS 5 2HB HIS 5 31.675 -28.951 13.585 34 HB3 HIS 5 1HB HIS 5 31.165 -29.175 11.917 35 HD1 HIS 5 HD1 HIS 5 31.085 -31.255 14.456 36 HD2 HIS 5 HD2 HIS 5 33.515 -31.382 11.090 37 HE1 HIS 5 HE1 HIS 5 31.720 -33.659 14.178 38 HE2 HIS 5 HE2 HIS 5 32.984 -33.739 12.010 39 H HIS 6 H HIS 6 31.756 -26.613 13.103 40 HA HIS 6 HA HIS 6 31.853 -25.011 10.628 41 HB2 HIS 6 2HB HIS 6 29.756 -26.373 10.725 42 HB3 HIS 6 1HB HIS 6 29.324 -25.540 12.211 43 HD1 HIS 6 HD1 HIS 6 30.120 -24.635 8.601 44 HD2 HIS 6 HD2 HIS 6 27.773 -23.349 11.779 45 HE1 HIS 6 HE1 HIS 6 28.742 -22.747 7.697 46 HE2 HIS 6 HE2 HIS 6 27.204 -22.110 9.579 47 H HIS 7 H HIS 7 29.843 -24.350 13.459 48 HA HIS 7 HA HIS 7 29.649 -22.528 14.780 49 HB2 HIS 7 2HB HIS 7 32.610 -23.028 14.827 50 HB3 HIS 7 1HB HIS 7 31.910 -21.699 15.747 51 HD1 HIS 7 HD1 HIS 7 32.526 -25.302 15.915 52 HD2 HIS 7 HD2 HIS 7 29.934 -22.590 17.705 53 HE1 HIS 7 HE1 HIS 7 31.599 -26.478 17.926 54 HE2 HIS 7 HE2 HIS 7 29.950 -24.867 18.917 55 H HIS 8 H HIS 8 30.178 -22.056 11.782 56 HA HIS 8 HA HIS 8 30.886 -19.222 11.868 57 HB2 HIS 8 2HB HIS 8 31.695 -20.629 9.986 58 HB3 HIS 8 1HB HIS 8 30.029 -20.953 9.522 59 HD1 HIS 8 HD1 HIS 8 29.540 -19.661 7.471 60 HD2 HIS 8 HD2 HIS 8 31.902 -17.487 10.110 61 HE1 HIS 8 HE1 HIS 8 29.869 -17.424 6.393 62 HE2 HIS 8 HE2 HIS 8 31.190 -16.085 8.056 63 H SER 9 H SER 9 29.403 -17.569 11.659 64 HA SER 9 HA SER 9 26.832 -17.904 12.640 65 HB2 SER 9 2HB SER 9 27.974 -15.736 12.650 66 HB3 SER 9 1HB SER 9 27.831 -15.636 10.895 67 HG SER 9 HG SER 9 25.950 -14.769 11.233 68 H HIS 10 H HIS 10 24.754 -17.817 11.742 69 HA HIS 10 HA HIS 10 24.561 -18.579 8.900 70 HB2 HIS 10 2HB HIS 10 22.683 -20.180 9.720 71 HB3 HIS 10 1HB HIS 10 24.363 -20.672 9.907 72 HD1 HIS 10 HD1 HIS 10 21.384 -19.549 11.887 73 HD2 HIS 10 HD2 HIS 10 25.242 -20.944 12.541 74 HE1 HIS 10 HE1 HIS 10 21.516 -20.024 14.345 75 HE2 HIS 10 HE2 HIS 10 23.801 -21.013 14.692 76 H GLU 11 H GLU 11 22.532 -18.196 7.876 77 HA GLU 11 HA GLU 11 21.296 -15.731 8.874 78 HB2 GLU 11 2HB GLU 11 20.915 -17.051 6.174 79 HB3 GLU 11 1HB GLU 11 20.540 -15.391 6.610 80 HG2 GLU 11 2HG GLU 11 22.900 -14.878 6.813 81 HG3 GLU 11 1HG GLU 11 23.315 -16.562 6.491 82 H HIS 12 H HIS 12 19.082 -15.494 9.269 83 HA HIS 12 HA HIS 12 17.342 -17.836 8.761 84 HB2 HIS 12 2HB HIS 12 16.825 -15.388 10.482 85 HB3 HIS 12 1HB HIS 12 15.706 -16.725 10.254 86 HD1 HIS 12 HD1 HIS 12 16.316 -18.982 11.421 87 HD2 HIS 12 HD2 HIS 12 18.823 -15.809 12.357 88 HE1 HIS 12 HE1 HIS 12 17.571 -19.705 13.465 89 HE2 HIS 12 HE2 HIS 12 18.879 -17.669 14.152 90 H LYS 13 H LYS 13 16.404 -17.691 6.775 91 HA LYS 13 HA LYS 13 15.512 -15.030 5.871 92 HB2 LYS 13 2HB LYS 13 16.664 -17.297 4.237 93 HB3 LYS 13 1HB LYS 13 15.897 -15.875 3.532 94 HG2 LYS 13 2HG LYS 13 17.546 -14.425 4.556 95 HG3 LYS 13 1HG LYS 13 18.286 -15.797 5.378 96 HD2 LYS 13 2HD LYS 13 18.127 -15.479 2.376 97 HD3 LYS 13 1HD LYS 13 19.524 -15.033 3.356 98 HE2 LYS 13 2HE LYS 13 19.564 -17.431 4.164 99 HE3 LYS 13 1HE LYS 13 18.375 -17.785 2.910 100 HZ1 LYS 13 3HZ LYS 13 19.985 -16.900 1.276 101 HZ2 LYS 13 1HZ LYS 13 20.547 -18.273 2.087 102 HZ3 LYS 13 2HZ LYS 13 21.128 -16.744 2.515 103 H ARG 14 H ARG 14 13.423 -14.779 5.631 104 HA ARG 14 HA ARG 14 11.699 -17.123 5.126 105 HB2 ARG 14 2HB ARG 14 11.512 -16.454 7.471 106 HB3 ARG 14 1HB ARG 14 11.171 -14.798 6.998 107 HG2 ARG 14 2HG ARG 14 9.155 -16.018 7.715 108 HG3 ARG 14 1HG ARG 14 9.044 -15.462 6.045 109 HD2 ARG 14 2HD ARG 14 9.373 -17.639 5.188 110 HD3 ARG 14 1HD ARG 14 9.955 -18.248 6.736 111 HE ARG 14 HE ARG 14 7.788 -18.586 7.391 112 HH11 ARG 14 1HH1 ARG 14 7.725 -16.529 4.610 113 HH12 ARG 14 2HH1 ARG 14 6.025 -16.708 4.403 114 HH21 ARG 14 1HH2 ARG 14 5.611 -18.785 7.093 115 HH22 ARG 14 2HH2 ARG 14 4.843 -17.979 5.771 116 H ALA 15 H ALA 15 10.615 -16.934 3.273 117 HA ALA 15 HA ALA 15 10.476 -14.622 1.688 118 HB1 ALA 15 3HB ALA 15 8.686 -17.057 1.620 119 HB2 ALA 15 1HB ALA 15 10.222 -16.872 0.773 120 HB3 ALA 15 2HB ALA 15 8.845 -15.861 0.334 121 HA PRO 16 HA PRO 16 7.387 -12.162 3.643 122 HB2 PRO 16 2HB PRO 16 6.386 -10.812 1.475 123 HB3 PRO 16 1HB PRO 16 7.932 -10.442 2.244 124 HG2 PRO 16 2HG PRO 16 7.386 -12.082 -0.211 125 HG3 PRO 16 1HG PRO 16 8.644 -10.859 0.062 126 HD2 PRO 16 2HD PRO 16 9.188 -13.484 0.212 127 HD3 PRO 16 1HD PRO 16 9.967 -12.314 1.298 128 H MET 17 H MET 17 5.349 -12.417 4.313 129 HA MET 17 HA MET 17 3.340 -13.614 2.529 130 HB2 MET 17 2HB MET 17 4.018 -15.497 3.781 131 HB3 MET 17 1HB MET 17 4.143 -14.571 5.271 132 HG2 MET 17 2HG MET 17 2.207 -16.103 5.217 133 HG3 MET 17 1HG MET 17 1.761 -14.415 5.453 134 HE1 MET 17 3HE MET 17 -0.745 -14.930 4.879 135 HE2 MET 17 1HE MET 17 -0.341 -16.635 4.668 136 HE3 MET 17 2HE MET 17 -1.269 -15.789 3.430 137 H PHE 18 H PHE 18 1.500 -12.461 2.490 138 HA PHE 18 HA PHE 18 0.991 -10.316 4.331 139 HB2 PHE 18 2HB PHE 18 -0.704 -11.563 2.152 140 HB3 PHE 18 1HB PHE 18 -1.237 -10.195 3.120 141 HD1 PHE 18 HD1 PHE 18 -0.101 -8.015 2.913 142 HD2 PHE 18 HD2 PHE 18 0.851 -11.289 0.361 143 HE1 PHE 18 HE1 PHE 18 0.972 -6.465 1.328 144 HE2 PHE 18 HE2 PHE 18 1.928 -9.746 -1.225 145 HZ PHE 18 HZ PHE 18 1.990 -7.329 -0.743 146 H ILE 19 H ILE 19 0.525 -10.874 6.399 147 HA ILE 19 HA ILE 19 -1.023 -13.163 7.144 148 HB ILE 19 HB ILE 19 -0.444 -10.723 8.850 149 HG12 ILE 19 2HG1 ILE 19 1.254 -13.215 8.475 150 HG13 ILE 19 1HG1 ILE 19 1.640 -11.616 7.848 151 HG21 ILE 19 1HG2 ILE 19 -0.997 -13.603 9.594 152 HG22 ILE 19 2HG2 ILE 19 -2.121 -12.254 9.763 153 HG23 ILE 19 3HG2 ILE 19 -0.642 -12.292 10.722 154 HD11 ILE 19 3HD1 ILE 19 1.463 -12.414 10.746 155 HD12 ILE 19 1HD1 ILE 19 1.751 -10.773 10.164 156 HD13 ILE 19 2HD1 ILE 19 2.925 -12.048 9.831 157 H TYR 20 H TYR 20 -1.695 -9.757 6.640 158 HA TYR 20 HA TYR 20 -4.583 -10.334 6.645 159 HB2 TYR 20 2HB TYR 20 -3.349 -7.839 7.851 160 HB3 TYR 20 1HB TYR 20 -5.066 -8.191 7.730 161 HD1 TYR 20 HD1 TYR 20 -6.026 -10.079 9.116 162 HD2 TYR 20 HD2 TYR 20 -2.060 -8.626 9.663 163 HE1 TYR 20 HE1 TYR 20 -5.964 -11.103 11.354 164 HE2 TYR 20 HE2 TYR 20 -1.988 -9.648 11.894 165 HH TYR 20 HH TYR 20 -3.610 -10.337 13.647 166 H LYS 21 H LYS 21 -5.593 -9.548 4.851 167 HA LYS 21 HA LYS 21 -4.134 -7.978 2.920 168 HB2 LYS 21 2HB LYS 21 -6.215 -8.067 1.586 169 HB3 LYS 21 1HB LYS 21 -5.711 -9.661 2.129 170 HG2 LYS 21 2HG LYS 21 -7.421 -9.753 3.767 171 HG3 LYS 21 1HG LYS 21 -7.778 -8.036 3.597 172 HD2 LYS 21 2HD LYS 21 -8.125 -9.921 1.280 173 HD3 LYS 21 1HD LYS 21 -9.374 -9.763 2.512 174 HE2 LYS 21 2HE LYS 21 -9.927 -8.300 0.695 175 HE3 LYS 21 1HE LYS 21 -9.426 -7.308 2.062 176 HZ1 LYS 21 3HZ LYS 21 -7.293 -6.981 1.030 177 HZ2 LYS 21 1HZ LYS 21 -8.506 -6.554 -0.064 178 HZ3 LYS 21 2HZ LYS 21 -7.693 -8.025 -0.243 179 HA PRO 22 HA PRO 22 -5.756 -3.959 4.159 180 HB2 PRO 22 2HB PRO 22 -5.495 -2.938 1.469 181 HB3 PRO 22 1HB PRO 22 -4.478 -2.601 2.870 182 HG2 PRO 22 2HG PRO 22 -3.714 -4.046 0.636 183 HG3 PRO 22 1HG PRO 22 -2.897 -4.091 2.208 184 HD2 PRO 22 2HD PRO 22 -4.752 -6.055 0.965 185 HD3 PRO 22 1HD PRO 22 -3.429 -6.323 2.118 186 H GLN 23 H GLN 23 -7.668 -2.672 3.789 187 HA GLN 23 HA GLN 23 -9.728 -4.218 2.360 188 HB2 GLN 23 2HB GLN 23 -10.106 -2.250 4.635 189 HB3 GLN 23 1HB GLN 23 -11.342 -3.289 3.932 190 HG2 GLN 23 2HG GLN 23 -10.127 -5.267 4.714 191 HG3 GLN 23 1HG GLN 23 -8.888 -4.230 5.417 192 HE21 GLN 23 1HE2 GLN 23 -9.240 -4.999 7.488 193 HE22 GLN 23 2HE2 GLN 23 -10.655 -4.603 8.397 194 H SER 24 H SER 24 -11.030 -3.299 0.853 195 HA SER 24 HA SER 24 -10.201 -0.788 -0.284 196 HB2 SER 24 2HB SER 24 -11.933 -1.246 -2.007 197 HB3 SER 24 1HB SER 24 -10.841 -2.607 -1.770 198 HG SER 24 HG SER 24 -13.340 -2.431 -0.436 199 H LYS 25 H LYS 25 -10.838 1.105 0.495 200 HA LYS 25 HA LYS 25 -13.573 1.383 1.589 201 HB2 LYS 25 2HB LYS 25 -11.047 2.864 2.354 202 HB3 LYS 25 1HB LYS 25 -12.648 3.264 2.956 203 HG2 LYS 25 2HG LYS 25 -11.244 0.627 3.386 204 HG3 LYS 25 1HG LYS 25 -11.311 1.946 4.554 205 HD2 LYS 25 2HD LYS 25 -13.685 0.422 3.462 206 HD3 LYS 25 1HD LYS 25 -12.973 0.212 5.061 207 HE2 LYS 25 2HE LYS 25 -14.330 2.702 4.007 208 HE3 LYS 25 1HE LYS 25 -14.974 1.581 5.207 209 HZ1 LYS 25 3HZ LYS 25 -12.575 3.304 5.527 210 HZ2 LYS 25 1HZ LYS 25 -13.120 2.182 6.669 211 HZ3 LYS 25 2HZ LYS 25 -14.073 3.522 6.277 212 H LYS 26 H LYS 26 -14.581 3.508 1.342 213 HA LYS 26 HA LYS 26 -13.606 4.987 -1.023 214 HB2 LYS 26 2HB LYS 26 -15.958 5.451 -1.616 215 HB3 LYS 26 1HB LYS 26 -15.593 3.731 -1.631 216 HG2 LYS 26 2HG LYS 26 -16.653 3.502 0.582 217 HG3 LYS 26 1HG LYS 26 -17.053 5.220 0.551 218 HD2 LYS 26 2HD LYS 26 -18.024 3.125 -1.402 219 HD3 LYS 26 1HD LYS 26 -18.974 3.861 -0.110 220 HE2 LYS 26 2HE LYS 26 -17.794 5.292 -2.496 221 HE3 LYS 26 1HE LYS 26 -19.492 4.880 -2.267 222 HZ1 LYS 26 3HZ LYS 26 -19.578 6.352 -0.372 223 HZ2 LYS 26 1HZ LYS 26 -19.010 7.196 -1.722 224 HZ3 LYS 26 2HZ LYS 26 -17.933 6.704 -0.519 225 H VAL 27 H VAL 27 -13.093 7.031 -0.641 226 HA VAL 27 HA VAL 27 -14.257 8.408 1.710 227 HB VAL 27 HB VAL 27 -12.256 9.822 1.750 228 HG11 VAL 27 1HG1 VAL 27 -10.637 8.137 2.497 229 HG12 VAL 27 2HG1 VAL 27 -11.592 6.872 1.723 230 HG13 VAL 27 3HG1 VAL 27 -12.261 7.778 3.081 231 HG21 VAL 27 3HG2 VAL 27 -11.269 8.105 -0.542 232 HG22 VAL 27 1HG2 VAL 27 -10.313 9.310 0.324 233 HG23 VAL 27 2HG2 VAL 27 -11.707 9.811 -0.631 234 H LEU 28 H LEU 28 -14.033 10.971 1.347 235 HA LEU 28 HA LEU 28 -15.344 11.570 -1.215 236 HB2 LEU 28 2HB LEU 28 -15.102 13.197 1.321 237 HB3 LEU 28 1HB LEU 28 -15.858 13.782 -0.148 238 HG LEU 28 HG LEU 28 -16.822 11.426 1.492 239 HD11 LEU 28 1HD1 LEU 28 -17.153 13.561 2.639 240 HD12 LEU 28 2HD1 LEU 28 -18.691 12.891 2.095 241 HD13 LEU 28 3HD1 LEU 28 -17.944 14.220 1.206 242 HD21 LEU 28 3HD2 LEU 28 -17.334 11.146 -0.874 243 HD22 LEU 28 1HD2 LEU 28 -18.015 12.773 -0.940 244 HD23 LEU 28 2HD2 LEU 28 -18.801 11.527 0.028 245 H GLU 29 H GLU 29 -14.756 13.670 -2.296 246 HA GLU 29 HA GLU 29 -11.989 13.714 -2.888 247 HB2 GLU 29 2HB GLU 29 -14.131 15.738 -3.581 248 HB3 GLU 29 1HB GLU 29 -12.512 15.717 -4.266 249 HG2 GLU 29 2HG GLU 29 -13.022 13.384 -5.095 250 HG3 GLU 29 1HG GLU 29 -14.696 13.677 -4.623 251 H GLY 30 H GLY 30 -10.382 14.582 -1.777 252 HA2 GLY 30 2HA GLY 30 -9.270 16.469 -0.798 253 HA3 GLY 30 1HA GLY 30 -10.824 17.058 -0.230 254 H ASP 31 H ASP 31 -11.097 13.940 0.434 255 HA ASP 31 HA ASP 31 -10.255 14.267 3.198 256 HB2 ASP 31 2HB ASP 31 -11.850 12.112 1.797 257 HB3 ASP 31 1HB ASP 31 -11.463 12.086 3.517 258 H SER 32 H SER 32 -9.352 12.178 4.274 259 HA SER 32 HA SER 32 -7.072 11.244 2.635 260 HB2 SER 32 2HB SER 32 -5.695 11.255 4.657 261 HB3 SER 32 1HB SER 32 -6.387 12.853 4.387 262 HG SER 32 HG SER 32 -6.491 11.965 6.599 263 H VAL 33 H VAL 33 -6.082 9.210 3.359 264 HA VAL 33 HA VAL 33 -7.691 7.375 4.940 265 HB VAL 33 HB VAL 33 -8.602 7.315 2.549 266 HG11 VAL 33 1HG1 VAL 33 -5.917 6.035 2.009 267 HG12 VAL 33 2HG1 VAL 33 -6.509 7.560 1.349 268 HG13 VAL 33 3HG1 VAL 33 -7.287 6.043 0.895 269 HG21 VAL 33 3HG2 VAL 33 -8.762 4.857 2.487 270 HG22 VAL 33 1HG2 VAL 33 -9.015 5.490 4.116 271 HG23 VAL 33 2HG2 VAL 33 -7.473 4.748 3.687 272 H LYS 34 H LYS 34 -6.534 5.261 5.228 273 HA LYS 34 HA LYS 34 -3.788 5.165 4.255 274 HB2 LYS 34 2HB LYS 34 -2.840 4.585 6.422 275 HB3 LYS 34 1HB LYS 34 -3.574 6.179 6.475 276 HG2 LYS 34 2HG LYS 34 -5.484 5.307 7.675 277 HG3 LYS 34 1HG LYS 34 -4.859 3.660 7.531 278 HD2 LYS 34 2HD LYS 34 -2.908 4.272 8.877 279 HD3 LYS 34 1HD LYS 34 -3.489 5.937 8.987 280 HE2 LYS 34 2HE LYS 34 -4.949 3.512 10.049 281 HE3 LYS 34 1HE LYS 34 -3.963 4.607 11.019 282 HZ1 LYS 34 3HZ LYS 34 -6.406 5.361 9.505 283 HZ2 LYS 34 1HZ LYS 34 -5.463 6.413 10.434 284 HZ3 LYS 34 2HZ LYS 34 -6.310 5.154 11.179 285 H LEU 35 H LEU 35 -3.306 3.236 3.483 286 HA LEU 35 HA LEU 35 -5.004 0.933 4.185 287 HB2 LEU 35 2HB LEU 35 -3.123 1.337 1.844 288 HB3 LEU 35 1HB LEU 35 -4.119 -0.083 2.110 289 HG LEU 35 HG LEU 35 -5.177 2.709 1.585 290 HD11 LEU 35 1HD1 LEU 35 -4.101 1.784 -0.390 291 HD12 LEU 35 2HD1 LEU 35 -5.852 1.816 -0.597 292 HD13 LEU 35 3HD1 LEU 35 -5.036 0.296 -0.227 293 HD21 LEU 35 3HD2 LEU 35 -6.680 1.362 2.980 294 HD22 LEU 35 1HD2 LEU 35 -6.634 0.068 1.782 295 HD23 LEU 35 2HD2 LEU 35 -7.355 1.626 1.374 296 H GLU 36 H GLU 36 -4.148 -0.361 5.722 297 HA GLU 36 HA GLU 36 -1.222 -0.740 5.755 298 HB2 GLU 36 2HB GLU 36 -1.304 -0.822 8.212 299 HB3 GLU 36 1HB GLU 36 -1.840 0.730 7.585 300 HG2 GLU 36 2HG GLU 36 -4.177 0.049 7.926 301 HG3 GLU 36 1HG GLU 36 -3.621 -1.487 8.591 302 H CYS 37 H CYS 37 -0.424 -2.738 6.413 303 HA CYS 37 HA CYS 37 -2.231 -4.934 7.006 304 HB2 CYS 37 2HB CYS 37 -1.501 -6.304 5.083 305 HB3 CYS 37 1HB CYS 37 -2.370 -4.866 4.565 306 HG CYS 37 HG CYS 37 0.733 -5.831 3.865 307 H GLN 38 H GLN 38 -0.979 -7.022 7.301 308 HA GLN 38 HA GLN 38 1.693 -6.441 8.418 309 HB2 GLN 38 2HB GLN 38 -0.280 -8.629 9.116 310 HB3 GLN 38 1HB GLN 38 1.341 -8.508 9.786 311 HG2 GLN 38 2HG GLN 38 -0.804 -6.412 10.095 312 HG3 GLN 38 1HG GLN 38 -0.434 -7.661 11.281 313 HE21 GLN 38 1HE2 GLN 38 2.449 -7.500 10.843 314 HE22 GLN 38 2HE2 GLN 38 2.959 -6.032 11.582 315 H ILE 39 H ILE 39 3.401 -7.261 7.400 316 HA ILE 39 HA ILE 39 3.096 -9.692 5.741 317 HB ILE 39 HB ILE 39 5.023 -7.395 5.270 318 HG12 ILE 39 2HG1 ILE 39 2.559 -8.204 3.700 319 HG13 ILE 39 1HG1 ILE 39 2.685 -6.789 4.740 320 HG21 ILE 39 1HG2 ILE 39 4.484 -9.880 3.634 321 HG22 ILE 39 2HG2 ILE 39 5.938 -9.547 4.576 322 HG23 ILE 39 3HG2 ILE 39 5.553 -8.555 3.169 323 HD11 ILE 39 3HD1 ILE 39 4.426 -5.885 3.274 324 HD12 ILE 39 1HD1 ILE 39 2.913 -6.174 2.415 325 HD13 ILE 39 2HD1 ILE 39 4.262 -7.294 2.224 326 H SER 40 H SER 40 4.243 -11.392 6.534 327 HA SER 40 HA SER 40 6.436 -10.877 8.415 328 HB2 SER 40 2HB SER 40 4.779 -12.578 9.053 329 HB3 SER 40 1HB SER 40 5.133 -13.492 7.589 330 HG SER 40 HG SER 40 6.465 -14.458 8.933 331 H ALA 41 H ALA 41 8.214 -10.293 7.283 332 HA ALA 41 HA ALA 41 9.377 -12.315 5.483 333 HB1 ALA 41 3HB ALA 41 10.229 -10.588 3.999 334 HB2 ALA 41 1HB ALA 41 9.464 -9.340 4.983 335 HB3 ALA 41 2HB ALA 41 8.471 -10.498 4.101 336 H ILE 42 H ILE 42 11.522 -12.739 5.827 337 HA ILE 42 HA ILE 42 13.083 -10.844 7.467 338 HB ILE 42 HB ILE 42 13.158 -13.855 7.827 339 HG12 ILE 42 2HG1 ILE 42 12.066 -11.709 9.675 340 HG13 ILE 42 1HG1 ILE 42 11.096 -12.862 8.765 341 HG21 ILE 42 1HG2 ILE 42 14.651 -13.367 9.723 342 HG22 ILE 42 2HG2 ILE 42 14.607 -11.652 9.310 343 HG23 ILE 42 3HG2 ILE 42 15.331 -12.810 8.194 344 HD11 ILE 42 3HD1 ILE 42 13.048 -13.533 10.963 345 HD12 ILE 42 1HD1 ILE 42 12.088 -14.694 10.044 346 HD13 ILE 42 2HD1 ILE 42 11.289 -13.521 11.088 347 HA PRO 43 HA PRO 43 14.607 -9.658 7.304 348 HB2 PRO 43 2HB PRO 43 16.079 -8.226 5.237 349 HB3 PRO 43 1HB PRO 43 16.592 -8.632 6.874 350 HG2 PRO 43 2HG PRO 43 17.704 -9.746 4.655 351 HG3 PRO 43 1HG PRO 43 17.604 -10.587 6.215 352 HD2 PRO 43 2HD PRO 43 15.824 -10.849 3.804 353 HD3 PRO 43 1HD PRO 43 16.518 -12.124 4.834 354 HA PRO 44 HA PRO 44 11.286 -7.176 5.614 355 HB2 PRO 44 2HB PRO 44 13.190 -4.853 5.661 356 HB3 PRO 44 1HB PRO 44 11.519 -4.944 6.232 357 HG2 PRO 44 2HG PRO 44 13.518 -5.060 7.971 358 HG3 PRO 44 1HG PRO 44 12.103 -6.116 8.165 359 HD2 PRO 44 2HD PRO 44 14.855 -6.785 7.209 360 HD3 PRO 44 1HD PRO 44 13.709 -7.773 8.138 361 HA PRO 45 HA PRO 45 12.422 -7.122 1.280 362 HB2 PRO 45 2HB PRO 45 9.983 -7.348 0.258 363 HB3 PRO 45 1HB PRO 45 10.654 -8.640 1.264 364 HG2 PRO 45 2HG PRO 45 8.647 -6.536 1.975 365 HG3 PRO 45 1HG PRO 45 8.701 -8.241 2.455 366 HD2 PRO 45 2HD PRO 45 9.613 -6.062 3.982 367 HD3 PRO 45 1HD PRO 45 9.979 -7.772 4.280 368 H LYS 46 H LYS 46 11.877 -5.928 -0.752 369 HA LYS 46 HA LYS 46 11.563 -3.083 -0.244 370 HB2 LYS 46 2HB LYS 46 13.263 -4.074 -1.854 371 HB3 LYS 46 1HB LYS 46 11.919 -4.454 -2.920 372 HG2 LYS 46 2HG LYS 46 12.914 -2.419 -3.672 373 HG3 LYS 46 1HG LYS 46 11.347 -2.025 -2.960 374 HD2 LYS 46 2HD LYS 46 12.475 -1.365 -0.872 375 HD3 LYS 46 1HD LYS 46 14.036 -1.744 -1.603 376 HE2 LYS 46 2HE LYS 46 13.576 -0.032 -3.346 377 HE3 LYS 46 1HE LYS 46 12.093 0.393 -2.488 378 HZ1 LYS 46 3HZ LYS 46 13.772 1.913 -1.835 379 HZ2 LYS 46 1HZ LYS 46 14.880 0.675 -1.511 380 HZ3 LYS 46 2HZ LYS 46 13.522 0.878 -0.524 381 H LEU 47 H LEU 47 9.750 -1.893 -0.667 382 HA LEU 47 HA LEU 47 7.353 -3.402 -1.454 383 HB2 LEU 47 2HB LEU 47 7.576 -0.723 -0.073 384 HB3 LEU 47 1HB LEU 47 6.097 -1.629 -0.337 385 HG LEU 47 HG LEU 47 8.401 -2.540 1.401 386 HD11 LEU 47 1HD1 LEU 47 7.270 -0.627 2.384 387 HD12 LEU 47 2HD1 LEU 47 6.897 -2.097 3.283 388 HD13 LEU 47 3HD1 LEU 47 5.708 -1.416 2.170 389 HD21 LEU 47 3HD2 LEU 47 6.874 -4.291 2.156 390 HD22 LEU 47 1HD2 LEU 47 7.163 -4.409 0.421 391 HD23 LEU 47 2HD2 LEU 47 5.650 -3.728 1.017 392 H PHE 48 H PHE 48 6.410 -3.081 -3.364 393 HA PHE 48 HA PHE 48 6.807 -0.497 -4.756 394 HB2 PHE 48 2HB PHE 48 6.425 -3.240 -5.992 395 HB3 PHE 48 1HB PHE 48 6.545 -1.731 -6.890 396 HD1 PHE 48 HD1 PHE 48 8.703 -0.429 -6.793 397 HD2 PHE 48 HD2 PHE 48 8.356 -4.412 -5.316 398 HE1 PHE 48 HE1 PHE 48 11.146 -0.676 -6.885 399 HE2 PHE 48 HE2 PHE 48 10.802 -4.658 -5.408 400 HZ PHE 48 HZ PHE 48 12.197 -2.793 -6.192 401 H TRP 49 H TRP 49 4.981 0.673 -4.769 402 HA TRP 49 HA TRP 49 2.374 -0.704 -4.904 403 HB2 TRP 49 2HB TRP 49 3.146 2.049 -3.931 404 HB3 TRP 49 1HB TRP 49 1.474 1.601 -4.245 405 HD1 TRP 49 HD1 TRP 49 4.369 0.832 -1.831 406 HE1 TRP 49 HE1 TRP 49 3.384 -0.244 0.289 407 HE3 TRP 49 HE3 TRP 49 -0.467 0.263 -3.380 408 HZ2 TRP 49 HZ2 TRP 49 0.887 -1.196 1.192 409 HZ3 TRP 49 HZ3 TRP 49 -2.094 -0.734 -1.828 410 HH2 TRP 49 HH2 TRP 49 -1.429 -1.451 0.412 411 H LYS 50 H LYS 50 1.008 -0.394 -6.598 412 HA LYS 50 HA LYS 50 1.594 1.710 -8.561 413 HB2 LYS 50 2HB LYS 50 2.766 -0.258 -9.374 414 HB3 LYS 50 1HB LYS 50 1.311 -1.230 -9.214 415 HG2 LYS 50 2HG LYS 50 0.229 0.013 -10.982 416 HG3 LYS 50 1HG LYS 50 1.604 1.115 -11.085 417 HD2 LYS 50 2HD LYS 50 1.706 -0.504 -12.890 418 HD3 LYS 50 1HD LYS 50 3.044 -0.767 -11.774 419 HE2 LYS 50 2HE LYS 50 0.484 -2.338 -11.561 420 HE3 LYS 50 1HE LYS 50 1.769 -2.822 -12.661 421 HZ1 LYS 50 3HZ LYS 50 1.986 -2.562 -9.709 422 HZ2 LYS 50 1HZ LYS 50 3.279 -2.917 -10.740 423 HZ3 LYS 50 2HZ LYS 50 1.985 -3.996 -10.599 424 H ARG 51 H ARG 51 -0.187 2.742 -9.194 425 HA ARG 51 HA ARG 51 -2.840 1.488 -8.828 426 HB2 ARG 51 2HB ARG 51 -2.500 3.486 -7.443 427 HB3 ARG 51 1HB ARG 51 -2.047 4.415 -8.865 428 HG2 ARG 51 2HG ARG 51 -4.390 3.859 -9.754 429 HG3 ARG 51 1HG ARG 51 -4.756 3.358 -8.102 430 HD2 ARG 51 2HD ARG 51 -5.460 5.625 -8.328 431 HD3 ARG 51 1HD ARG 51 -3.994 5.637 -7.348 432 HE ARG 51 HE ARG 51 -3.492 6.018 -10.151 433 HH11 ARG 51 1HH1 ARG 51 -4.312 7.603 -7.208 434 HH12 ARG 51 2HH1 ARG 51 -3.791 9.156 -7.770 435 HH21 ARG 51 1HH2 ARG 51 -2.810 8.009 -10.865 436 HH22 ARG 51 2HH2 ARG 51 -2.934 9.376 -9.814 437 H ASN 52 H ASN 52 -3.699 0.831 -10.755 438 HA ASN 52 HA ASN 52 -4.186 0.734 -12.997 439 HB2 ASN 52 2HB ASN 52 -4.307 3.742 -12.636 440 HB3 ASN 52 1HB ASN 52 -5.060 2.834 -13.942 441 HD21 ASN 52 1HD2 ASN 52 -6.236 4.582 -11.924 442 HD22 ASN 52 2HD2 ASN 52 -7.432 3.631 -11.121 443 H ASN 53 H ASN 53 -1.577 0.337 -12.859 444 HA ASN 53 HA ASN 53 0.305 0.263 -14.117 445 HB2 ASN 53 2HB ASN 53 -1.177 2.145 -15.957 446 HB3 ASN 53 1HB ASN 53 0.394 1.435 -16.319 447 HD21 ASN 53 1HD2 ASN 53 -2.271 1.170 -17.583 448 HD22 ASN 53 2HD2 ASN 53 -2.560 -0.530 -17.661 449 H GLU 54 H GLU 54 -0.771 3.200 -12.741 450 HA GLU 54 HA GLU 54 1.724 4.632 -13.204 451 HB2 GLU 54 2HB GLU 54 -0.596 5.289 -11.361 452 HB3 GLU 54 1HB GLU 54 0.764 6.347 -11.704 453 HG2 GLU 54 2HG GLU 54 0.072 6.408 -14.077 454 HG3 GLU 54 1HG GLU 54 -1.337 5.430 -13.660 455 H MET 55 H MET 55 3.529 4.258 -11.994 456 HA MET 55 HA MET 55 3.381 2.696 -9.592 457 HB2 MET 55 2HB MET 55 5.324 2.469 -11.027 458 HB3 MET 55 1HB MET 55 5.719 4.171 -10.825 459 HG2 MET 55 2HG MET 55 6.544 3.874 -8.713 460 HG3 MET 55 1HG MET 55 5.520 2.478 -8.385 461 HE1 MET 55 3HE MET 55 5.976 0.069 -9.238 462 HE2 MET 55 1HE MET 55 7.327 -0.386 -10.280 463 HE3 MET 55 2HE MET 55 6.029 0.627 -10.910 464 H VAL 56 H VAL 56 2.972 3.389 -7.622 465 HA VAL 56 HA VAL 56 2.423 6.136 -7.110 466 HB VAL 56 HB VAL 56 2.599 3.881 -5.100 467 HG11 VAL 56 1HG1 VAL 56 1.105 6.507 -5.022 468 HG12 VAL 56 2HG1 VAL 56 2.514 6.072 -4.054 469 HG13 VAL 56 3HG1 VAL 56 0.985 5.228 -3.816 470 HG21 VAL 56 3HG2 VAL 56 0.194 3.561 -5.468 471 HG22 VAL 56 1HG2 VAL 56 1.121 3.251 -6.937 472 HG23 VAL 56 2HG2 VAL 56 0.230 4.764 -6.759 473 H GLN 57 H GLN 57 4.053 7.562 -6.915 474 HA GLN 57 HA GLN 57 6.477 6.880 -5.430 475 HB2 GLN 57 2HB GLN 57 5.751 9.415 -6.919 476 HB3 GLN 57 1HB GLN 57 7.320 9.054 -6.208 477 HG2 GLN 57 2HG GLN 57 7.523 7.114 -7.741 478 HG3 GLN 57 1HG GLN 57 6.004 7.595 -8.498 479 HE21 GLN 57 1HE2 GLN 57 9.355 8.351 -8.075 480 HE22 GLN 57 2HE2 GLN 57 9.457 9.536 -9.327 481 H PHE 58 H PHE 58 7.041 7.776 -3.476 482 HA PHE 58 HA PHE 58 4.771 8.931 -1.990 483 HB2 PHE 58 2HB PHE 58 7.235 7.661 -0.788 484 HB3 PHE 58 1HB PHE 58 5.646 7.869 -0.058 485 HD1 PHE 58 HD1 PHE 58 3.707 6.507 -0.979 486 HD2 PHE 58 HD2 PHE 58 7.769 5.706 -1.984 487 HE1 PHE 58 HE1 PHE 58 3.073 4.257 -1.739 488 HE2 PHE 58 HE2 PHE 58 7.139 3.449 -2.735 489 HZ PHE 58 HZ PHE 58 4.788 2.724 -2.616 490 H ASN 59 H ASN 59 6.817 10.454 -3.616 491 HA ASN 59 HA ASN 59 8.370 11.893 -1.608 492 HB2 ASN 59 2HB ASN 59 9.420 13.000 -3.534 493 HB3 ASN 59 1HB ASN 59 9.444 11.247 -3.717 494 HD21 ASN 59 1HD2 ASN 59 8.070 14.220 -4.867 495 HD22 ASN 59 2HD2 ASN 59 7.371 13.570 -6.309 496 H THR 60 H THR 60 5.399 12.207 -1.705 497 HA THR 60 HA THR 60 5.314 15.133 -2.047 498 HB THR 60 HB THR 60 4.269 14.400 -4.054 499 HG1 THR 60 HG1 THR 60 2.366 15.437 -3.823 500 HG21 THR 60 3HG2 THR 60 3.860 12.058 -3.466 501 HG22 THR 60 1HG2 THR 60 2.401 12.805 -4.117 502 HG23 THR 60 2HG2 THR 60 2.562 12.550 -2.380 503 H ASP 61 H ASP 61 3.455 16.160 -0.943 504 HA ASP 61 HA ASP 61 3.332 15.250 1.749 505 HB2 ASP 61 2HB ASP 61 3.324 17.643 1.055 506 HB3 ASP 61 1HB ASP 61 1.695 17.428 0.420 507 H ARG 62 H ARG 62 1.250 14.796 -0.997 508 HA ARG 62 HA ARG 62 -1.074 13.974 0.477 509 HB2 ARG 62 2HB ARG 62 -0.257 13.593 -2.408 510 HB3 ARG 62 1HB ARG 62 -1.769 12.982 -1.759 511 HG2 ARG 62 2HG ARG 62 -2.436 15.285 -1.191 512 HG3 ARG 62 1HG ARG 62 -0.939 15.879 -1.920 513 HD2 ARG 62 2HD ARG 62 -1.586 15.100 -4.080 514 HD3 ARG 62 1HD ARG 62 -2.937 14.183 -3.418 515 HE ARG 62 HE ARG 62 -3.367 16.851 -2.781 516 HH11 ARG 62 1HH1 ARG 62 -3.133 14.897 -5.608 517 HH12 ARG 62 2HH1 ARG 62 -4.223 15.887 -6.509 518 HH21 ARG 62 1HH2 ARG 62 -4.779 18.093 -3.941 519 HH22 ARG 62 2HH2 ARG 62 -5.142 17.678 -5.579 520 H ILE 63 H ILE 63 1.752 12.301 -0.829 521 HA ILE 63 HA ILE 63 0.559 9.706 -0.051 522 HB ILE 63 HB ILE 63 2.489 10.196 -2.335 523 HG12 ILE 63 2HG1 ILE 63 0.262 11.123 -2.832 524 HG13 ILE 63 1HG1 ILE 63 0.600 9.712 -3.829 525 HG21 ILE 63 1HG2 ILE 63 2.000 7.861 -2.946 526 HG22 ILE 63 2HG2 ILE 63 1.033 7.690 -1.481 527 HG23 ILE 63 3HG2 ILE 63 2.767 7.993 -1.364 528 HD11 ILE 63 3HD1 ILE 63 -1.136 9.766 -1.369 529 HD12 ILE 63 1HD1 ILE 63 -0.799 8.349 -2.364 530 HD13 ILE 63 2HD1 ILE 63 -1.690 9.711 -3.042 531 H SER 64 H SER 64 1.658 8.560 1.414 532 HA SER 64 HA SER 64 4.584 8.704 1.525 533 HB2 SER 64 2HB SER 64 2.818 9.271 3.925 534 HB3 SER 64 1HB SER 64 4.549 8.954 4.017 535 HG SER 64 HG SER 64 3.954 10.901 2.201 536 H LEU 65 H LEU 65 5.577 6.874 2.488 537 HA LEU 65 HA LEU 65 3.800 4.675 3.328 538 HB2 LEU 65 2HB LEU 65 4.280 4.308 0.960 539 HB3 LEU 65 1HB LEU 65 6.000 4.459 1.262 540 HG LEU 65 HG LEU 65 5.834 2.405 2.728 541 HD11 LEU 65 1HD1 LEU 65 3.457 2.458 3.196 542 HD12 LEU 65 2HD1 LEU 65 3.892 0.943 2.406 543 HD13 LEU 65 3HD1 LEU 65 3.090 2.218 1.488 544 HD21 LEU 65 3HD2 LEU 65 5.800 0.835 0.853 545 HD22 LEU 65 1HD2 LEU 65 6.714 2.291 0.453 546 HD23 LEU 65 2HD2 LEU 65 5.081 2.071 -0.178 547 H TYR 66 H TYR 66 4.539 3.591 5.089 548 HA TYR 66 HA TYR 66 7.424 3.444 5.552 549 HB2 TYR 66 2HB TYR 66 7.264 4.058 7.894 550 HB3 TYR 66 1HB TYR 66 6.646 5.363 6.897 551 HD1 TYR 66 HD2 TYR 66 4.254 5.925 6.917 552 HD2 TYR 66 HD1 TYR 66 5.804 2.829 9.401 553 HE1 TYR 66 HE2 TYR 66 2.200 5.984 8.269 554 HE2 TYR 66 HE1 TYR 66 3.757 2.883 10.756 555 HH TYR 66 HH TYR 66 1.950 4.379 11.292 556 H GLN 67 H GLN 67 8.060 1.741 7.041 557 HA GLN 67 HA GLN 67 6.024 -0.347 7.434 558 HB2 GLN 67 2HB GLN 67 7.629 -2.049 6.632 559 HB3 GLN 67 1HB GLN 67 7.188 -0.900 5.379 560 HG2 GLN 67 2HG GLN 67 9.360 0.335 6.065 561 HG3 GLN 67 1HG GLN 67 9.790 -1.189 6.836 562 HE21 GLN 67 1HE2 GLN 67 10.019 -3.054 5.492 563 HE22 GLN 67 2HE2 GLN 67 10.384 -2.892 3.815 564 H ASP 68 H ASP 68 6.035 -1.162 9.435 565 HA ASP 68 HA ASP 68 8.050 -0.188 11.297 566 HB2 ASP 68 2HB ASP 68 5.672 0.134 11.808 567 HB3 ASP 68 1HB ASP 68 5.425 -1.610 11.797 568 H ASN 69 H ASN 69 8.875 -1.554 13.015 569 HA ASN 69 HA ASN 69 10.310 -3.745 12.033 570 HB2 ASN 69 2HB ASN 69 9.788 -2.978 14.917 571 HB3 ASN 69 1HB ASN 69 11.063 -4.056 14.356 572 HD21 ASN 69 1HD2 ASN 69 9.964 -0.765 14.522 573 HD22 ASN 69 2HD2 ASN 69 11.454 -0.035 14.037 574 H THR 70 H THR 70 7.138 -3.686 13.490 575 HA THR 70 HA THR 70 7.169 -6.502 14.191 576 HB THR 70 HB THR 70 5.768 -4.819 15.430 577 HG1 THR 70 HG1 THR 70 4.810 -7.244 14.381 578 HG21 THR 70 3HG2 THR 70 4.028 -4.957 12.955 579 HG22 THR 70 1HG2 THR 70 4.918 -3.539 13.517 580 HG23 THR 70 2HG2 THR 70 3.590 -4.186 14.480 581 H GLY 71 H GLY 71 7.195 -5.114 11.266 582 HA2 GLY 71 2HA GLY 71 6.816 -6.126 9.191 583 HA3 GLY 71 1HA GLY 71 5.819 -7.339 9.981 584 H ARG 72 H ARG 72 5.275 -3.946 10.554 585 HA ARG 72 HA ARG 72 2.626 -4.195 9.312 586 HB2 ARG 72 2HB ARG 72 2.691 -3.482 11.655 587 HB3 ARG 72 1HB ARG 72 3.716 -2.119 11.228 588 HG2 ARG 72 2HG ARG 72 1.857 -1.270 9.784 589 HG3 ARG 72 1HG ARG 72 0.840 -2.557 10.433 590 HD2 ARG 72 2HD ARG 72 1.119 -1.672 12.682 591 HD3 ARG 72 1HD ARG 72 2.209 -0.422 12.076 592 HE ARG 72 HE ARG 72 -0.553 -0.547 11.084 593 HH11 ARG 72 1HH1 ARG 72 1.905 1.105 12.840 594 HH12 ARG 72 2HH1 ARG 72 1.012 2.577 12.922 595 HH21 ARG 72 1HH2 ARG 72 -1.694 1.331 11.187 596 HH22 ARG 72 2HH2 ARG 72 -1.014 2.706 11.986 597 H VAL 73 H VAL 73 2.549 -3.544 7.232 598 HA VAL 73 HA VAL 73 4.126 -1.225 6.361 599 HB VAL 73 HB VAL 73 2.375 -3.063 4.704 600 HG11 VAL 73 1HG1 VAL 73 4.436 -1.010 3.881 601 HG12 VAL 73 2HG1 VAL 73 2.690 -0.889 3.660 602 HG13 VAL 73 3HG1 VAL 73 3.603 -2.119 2.789 603 HG21 VAL 73 3HG2 VAL 73 4.472 -4.113 3.963 604 HG22 VAL 73 1HG2 VAL 73 4.224 -4.309 5.699 605 HG23 VAL 73 2HG2 VAL 73 5.376 -3.113 5.101 606 H THR 74 H THR 74 3.208 0.746 5.878 607 HA THR 74 HA THR 74 0.264 0.954 5.911 608 HB THR 74 HB THR 74 2.079 2.735 7.560 609 HG1 THR 74 HG1 THR 74 0.843 0.349 8.098 610 HG21 THR 74 3HG2 THR 74 0.089 3.909 6.731 611 HG22 THR 74 1HG2 THR 74 -0.022 3.637 8.470 612 HG23 THR 74 2HG2 THR 74 -0.942 2.622 7.359 613 H LEU 75 H LEU 75 -0.357 1.941 4.108 614 HA LEU 75 HA LEU 75 1.335 4.010 2.877 615 HB2 LEU 75 2HB LEU 75 0.627 2.181 1.418 616 HB3 LEU 75 1HB LEU 75 -1.054 2.497 1.802 617 HG LEU 75 HG LEU 75 -0.857 4.725 0.708 618 HD11 LEU 75 1HD1 LEU 75 1.088 5.189 -0.717 619 HD12 LEU 75 2HD1 LEU 75 1.891 3.754 -0.077 620 HD13 LEU 75 3HD1 LEU 75 1.519 5.109 0.990 621 HD21 LEU 75 3HD2 LEU 75 -0.111 2.372 -1.033 622 HD22 LEU 75 1HD2 LEU 75 -0.796 3.897 -1.600 623 HD23 LEU 75 2HD2 LEU 75 -1.742 2.842 -0.550 624 H LEU 76 H LEU 76 0.758 6.119 2.910 625 HA LEU 76 HA LEU 76 -1.890 6.848 4.009 626 HB2 LEU 76 2HB LEU 76 0.635 8.520 3.958 627 HB3 LEU 76 1HB LEU 76 -0.863 8.912 4.778 628 HG LEU 76 HG LEU 76 0.968 6.615 5.511 629 HD11 LEU 76 1HD1 LEU 76 1.523 7.951 7.483 630 HD12 LEU 76 2HD1 LEU 76 0.521 9.272 6.879 631 HD13 LEU 76 3HD1 LEU 76 1.972 8.791 5.999 632 HD21 LEU 76 3HD2 LEU 76 -0.442 6.449 7.521 633 HD22 LEU 76 1HD2 LEU 76 -1.351 6.126 6.046 634 HD23 LEU 76 2HD2 LEU 76 -1.517 7.682 6.859 635 H ILE 77 H ILE 77 -3.277 7.955 2.752 636 HA ILE 77 HA ILE 77 -2.247 9.468 0.431 637 HB ILE 77 HB ILE 77 -4.752 7.759 0.425 638 HG12 ILE 77 2HG1 ILE 77 -2.112 7.358 -1.017 639 HG13 ILE 77 1HG1 ILE 77 -2.684 6.410 0.350 640 HG21 ILE 77 1HG2 ILE 77 -5.003 9.760 -0.946 641 HG22 ILE 77 2HG2 ILE 77 -4.881 8.325 -1.964 642 HG23 ILE 77 3HG2 ILE 77 -3.490 9.393 -1.781 643 HD11 ILE 77 3HD1 ILE 77 -2.970 5.229 -1.754 644 HD12 ILE 77 1HD1 ILE 77 -3.982 6.538 -2.364 645 HD13 ILE 77 2HD1 ILE 77 -4.526 5.566 -0.996 646 H LYS 78 H LYS 78 -2.685 11.550 0.800 647 HA LYS 78 HA LYS 78 -5.193 12.304 2.175 648 HB2 LYS 78 2HB LYS 78 -2.613 13.881 1.978 649 HB3 LYS 78 1HB LYS 78 -4.057 14.359 2.859 650 HG2 LYS 78 2HG LYS 78 -3.765 12.478 4.388 651 HG3 LYS 78 1HG LYS 78 -2.331 11.967 3.492 652 HD2 LYS 78 2HD LYS 78 -1.255 14.121 4.022 653 HD3 LYS 78 1HD LYS 78 -2.685 14.600 4.938 654 HE2 LYS 78 2HE LYS 78 -2.314 12.668 6.446 655 HE3 LYS 78 1HE LYS 78 -0.840 12.288 5.556 656 HZ1 LYS 78 3HZ LYS 78 0.017 14.489 6.161 657 HZ2 LYS 78 1HZ LYS 78 -0.319 13.540 7.525 658 HZ3 LYS 78 2HZ LYS 78 -1.376 14.780 7.079 659 H ASP 79 H ASP 79 -6.279 14.255 1.477 660 HA ASP 79 HA ASP 79 -7.089 15.809 0.018 661 HB2 ASP 79 2HB ASP 79 -4.685 16.594 0.479 662 HB3 ASP 79 1HB ASP 79 -4.279 15.945 -1.103 663 H VAL 80 H VAL 80 -7.295 13.063 -0.799 664 HA VAL 80 HA VAL 80 -6.522 12.890 -3.594 665 HB VAL 80 HB VAL 80 -6.399 10.976 -1.901 666 HG11 VAL 80 1HG1 VAL 80 -9.344 10.783 -2.513 667 HG12 VAL 80 2HG1 VAL 80 -8.647 11.239 -0.956 668 HG13 VAL 80 3HG1 VAL 80 -8.390 9.616 -1.598 669 HG21 VAL 80 3HG2 VAL 80 -7.781 10.502 -4.545 670 HG22 VAL 80 1HG2 VAL 80 -6.974 9.264 -3.580 671 HG23 VAL 80 2HG2 VAL 80 -6.042 10.594 -4.264 672 H ASN 81 H ASN 81 -7.900 12.801 -5.365 673 HA ASN 81 HA ASN 81 -10.768 13.344 -4.883 674 HB2 ASN 81 2HB ASN 81 -10.666 14.678 -7.058 675 HB3 ASN 81 1HB ASN 81 -9.880 15.398 -5.657 676 HD21 ASN 81 1HD2 ASN 81 -9.418 14.004 -8.782 677 HD22 ASN 81 2HD2 ASN 81 -7.745 14.398 -8.935 678 H LYS 82 H LYS 82 -12.039 12.997 -7.105 679 HA LYS 82 HA LYS 82 -12.341 10.323 -7.567 680 HB2 LYS 82 2HB LYS 82 -12.850 12.639 -9.424 681 HB3 LYS 82 1HB LYS 82 -13.292 10.995 -9.855 682 HG2 LYS 82 2HG LYS 82 -14.289 12.402 -7.380 683 HG3 LYS 82 1HG LYS 82 -15.149 12.374 -8.924 684 HD2 LYS 82 2HD LYS 82 -14.854 9.781 -8.732 685 HD3 LYS 82 1HD LYS 82 -14.588 10.121 -7.019 686 HE2 LYS 82 2HE LYS 82 -16.757 11.132 -6.823 687 HE3 LYS 82 1HE LYS 82 -17.016 11.027 -8.565 688 HZ1 LYS 82 3HZ LYS 82 -16.731 8.714 -6.719 689 HZ2 LYS 82 1HZ LYS 82 -16.981 8.618 -8.389 690 HZ3 LYS 82 2HZ LYS 82 -18.179 9.271 -7.396 691 H LYS 83 H LYS 83 -10.339 12.468 -9.567 692 HA LYS 83 HA LYS 83 -9.581 10.685 -11.543 693 HB2 LYS 83 2HB LYS 83 -7.943 12.925 -10.342 694 HB3 LYS 83 1HB LYS 83 -7.613 12.148 -11.884 695 HG2 LYS 83 2HG LYS 83 -10.138 13.662 -11.226 696 HG3 LYS 83 1HG LYS 83 -8.758 14.329 -12.100 697 HD2 LYS 83 2HD LYS 83 -10.382 11.937 -12.995 698 HD3 LYS 83 1HD LYS 83 -10.589 13.580 -13.597 699 HE2 LYS 83 2HE LYS 83 -8.085 11.912 -13.839 700 HE3 LYS 83 1HE LYS 83 -9.240 12.234 -15.128 701 HZ1 LYS 83 3HZ LYS 83 -7.478 14.196 -13.772 702 HZ2 LYS 83 1HZ LYS 83 -8.722 14.633 -14.832 703 HZ3 LYS 83 2HZ LYS 83 -7.423 13.711 -15.388 704 H ASP 84 H ASP 84 -8.396 10.869 -8.261 705 HA ASP 84 HA ASP 84 -6.067 9.223 -8.869 706 HB2 ASP 84 2HB ASP 84 -6.935 10.718 -6.393 707 HB3 ASP 84 1HB ASP 84 -5.577 9.590 -6.391 708 H ALA 85 H ALA 85 -9.232 8.486 -8.179 709 HA ALA 85 HA ALA 85 -8.703 6.297 -6.343 710 HB1 ALA 85 3HB ALA 85 -11.072 5.739 -6.644 711 HB2 ALA 85 1HB ALA 85 -11.197 6.947 -7.923 712 HB3 ALA 85 2HB ALA 85 -10.861 7.448 -6.267 713 H GLY 86 H GLY 86 -8.658 4.089 -6.850 714 HA2 GLY 86 2HA GLY 86 -9.166 2.959 -9.364 715 HA3 GLY 86 1HA GLY 86 -7.479 3.441 -9.343 716 H TRP 87 H TRP 87 -7.547 0.975 -9.764 717 HA TRP 87 HA TRP 87 -7.471 -0.589 -7.319 718 HB2 TRP 87 2HB TRP 87 -6.952 -1.203 -10.222 719 HB3 TRP 87 1HB TRP 87 -6.484 -2.341 -8.964 720 HD1 TRP 87 HD1 TRP 87 -9.596 -0.872 -10.661 721 HE1 TRP 87 HE1 TRP 87 -11.621 -2.346 -10.057 722 HE3 TRP 87 HE3 TRP 87 -7.391 -3.892 -7.177 723 HZ2 TRP 87 HZ2 TRP 87 -12.207 -4.494 -8.325 724 HZ3 TRP 87 HZ3 TRP 87 -8.751 -5.631 -6.090 725 HH2 TRP 87 HH2 TRP 87 -11.111 -5.925 -6.655 726 H TYR 88 H TYR 88 -5.796 -0.472 -5.992 727 HA TYR 88 HA TYR 88 -3.124 0.215 -6.972 728 HB2 TYR 88 2HB TYR 88 -4.250 -0.081 -4.175 729 HB3 TYR 88 1HB TYR 88 -2.551 0.233 -4.504 730 HD1 TYR 88 HD1 TYR 88 -5.958 1.644 -5.103 731 HD2 TYR 88 HD2 TYR 88 -1.792 2.434 -4.707 732 HE1 TYR 88 HE1 TYR 88 -6.415 4.060 -5.141 733 HE2 TYR 88 HE2 TYR 88 -2.241 4.849 -4.737 734 HH TYR 88 HH TYR 88 -5.354 6.153 -4.396 735 H THR 89 H THR 89 -1.294 -1.108 -6.549 736 HA THR 89 HA THR 89 -1.836 -3.885 -5.716 737 HB THR 89 HB THR 89 -0.143 -3.134 -8.121 738 HG1 THR 89 HG1 THR 89 -2.333 -2.963 -8.639 739 HG21 THR 89 3HG2 THR 89 -0.928 -5.845 -7.027 740 HG22 THR 89 1HG2 THR 89 0.679 -5.126 -6.944 741 HG23 THR 89 2HG2 THR 89 -0.015 -5.554 -8.508 742 H VAL 90 H VAL 90 -0.393 -4.630 -4.258 743 HA VAL 90 HA VAL 90 2.100 -3.095 -3.870 744 HB VAL 90 HB VAL 90 0.676 -2.941 -1.926 745 HG11 VAL 90 1HG1 VAL 90 0.690 -5.962 -1.857 746 HG12 VAL 90 2HG1 VAL 90 -0.687 -4.935 -2.252 747 HG13 VAL 90 3HG1 VAL 90 -0.006 -4.906 -0.626 748 HG21 VAL 90 3HG2 VAL 90 2.977 -4.832 -1.403 749 HG22 VAL 90 1HG2 VAL 90 2.189 -3.807 -0.203 750 HG23 VAL 90 2HG2 VAL 90 3.088 -3.076 -1.534 751 H SER 91 H SER 91 3.971 -4.065 -4.254 752 HA SER 91 HA SER 91 4.097 -7.022 -4.296 753 HB2 SER 91 2HB SER 91 5.729 -5.070 -5.954 754 HB3 SER 91 1HB SER 91 5.870 -6.827 -5.998 755 HG SER 91 HG SER 91 4.094 -6.957 -7.154 756 H ALA 92 H ALA 92 5.276 -7.812 -2.665 757 HA ALA 92 HA ALA 92 7.487 -6.181 -1.566 758 HB1 ALA 92 3HB ALA 92 5.952 -8.444 -0.275 759 HB2 ALA 92 1HB ALA 92 5.739 -6.724 0.053 760 HB3 ALA 92 2HB ALA 92 7.253 -7.520 0.477 761 H VAL 93 H VAL 93 9.469 -6.791 -2.238 762 HA VAL 93 HA VAL 93 9.862 -9.614 -3.015 763 HB VAL 93 HB VAL 93 10.062 -8.121 -4.913 764 HG11 VAL 93 1HG1 VAL 93 12.276 -6.755 -3.382 765 HG12 VAL 93 2HG1 VAL 93 10.706 -6.066 -3.796 766 HG13 VAL 93 3HG1 VAL 93 11.860 -6.455 -5.071 767 HG21 VAL 93 3HG2 VAL 93 11.470 -10.129 -4.852 768 HG22 VAL 93 1HG2 VAL 93 12.761 -9.204 -4.083 769 HG23 VAL 93 2HG2 VAL 93 12.259 -8.818 -5.730 770 H ASN 94 H ASN 94 10.981 -10.757 -1.641 771 HA ASN 94 HA ASN 94 13.350 -9.616 -0.283 772 HB2 ASN 94 2HB ASN 94 11.538 -10.504 1.195 773 HB3 ASN 94 1HB ASN 94 11.713 -12.076 0.431 774 HD21 ASN 94 1HD2 ASN 94 12.020 -11.314 3.222 775 HD22 ASN 94 2HD2 ASN 94 13.617 -11.784 3.671 776 H GLU 95 H GLU 95 15.316 -10.965 -0.312 777 HA GLU 95 HA GLU 95 15.881 -12.254 -2.741 778 HB2 GLU 95 2HB GLU 95 17.945 -13.044 -1.685 779 HB3 GLU 95 1HB GLU 95 17.635 -11.365 -1.270 780 HG2 GLU 95 2HG GLU 95 16.787 -12.058 0.918 781 HG3 GLU 95 1HG GLU 95 17.097 -13.744 0.507 782 H ALA 96 H ALA 96 14.567 -13.494 0.249 783 HA ALA 96 HA ALA 96 14.802 -16.272 -0.349 784 HB1 ALA 96 3HB ALA 96 12.892 -14.890 1.533 785 HB2 ALA 96 1HB ALA 96 14.528 -15.413 1.933 786 HB3 ALA 96 2HB ALA 96 13.295 -16.607 1.526 787 H GLY 97 H GLY 97 12.456 -13.832 -1.245 788 HA2 GLY 97 2HA GLY 97 11.217 -15.240 -3.265 789 HA3 GLY 97 1HA GLY 97 10.297 -15.636 -1.822 790 H VAL 98 H VAL 98 8.778 -14.491 -3.617 791 HA VAL 98 HA VAL 98 8.555 -11.661 -2.784 792 HB VAL 98 HB VAL 98 9.534 -11.772 -5.053 793 HG11 VAL 98 1HG1 VAL 98 6.942 -13.109 -5.850 794 HG12 VAL 98 2HG1 VAL 98 8.531 -13.875 -5.798 795 HG13 VAL 98 3HG1 VAL 98 8.217 -12.576 -6.949 796 HG21 VAL 98 3HG2 VAL 98 7.993 -10.214 -6.147 797 HG22 VAL 98 1HG2 VAL 98 8.157 -9.843 -4.431 798 HG23 VAL 98 2HG2 VAL 98 6.716 -10.672 -5.021 799 H THR 99 H THR 99 6.416 -10.787 -2.749 800 HA THR 99 HA THR 99 4.193 -12.621 -3.320 801 HB THR 99 HB THR 99 4.617 -12.910 -0.916 802 HG1 THR 99 HG1 THR 99 2.508 -12.776 -0.413 803 HG21 THR 99 3HG2 THR 99 5.627 -10.722 -0.447 804 HG22 THR 99 1HG2 THR 99 4.283 -11.054 0.646 805 HG23 THR 99 2HG2 THR 99 4.066 -9.944 -0.707 806 H THR 100 H THR 100 2.270 -11.616 -3.922 807 HA THR 100 HA THR 100 2.325 -8.666 -4.133 808 HB THR 100 HB THR 100 1.359 -10.487 -6.359 809 HG1 THR 100 HG1 THR 100 3.644 -10.639 -6.115 810 HG21 THR 100 3HG2 THR 100 0.321 -8.270 -6.333 811 HG22 THR 100 1HG2 THR 100 1.420 -8.427 -7.704 812 HG23 THR 100 2HG2 THR 100 1.913 -7.510 -6.279 813 H CYS 101 H CYS 101 0.337 -7.628 -3.943 814 HA CYS 101 HA CYS 101 -2.113 -9.229 -3.834 815 HB2 CYS 101 2HB CYS 101 -1.356 -9.219 -1.510 816 HB3 CYS 101 1HB CYS 101 -1.218 -7.464 -1.539 817 HG CYS 101 HG CYS 101 -4.201 -9.070 -2.023 818 H ASN 102 H ASN 102 -3.937 -8.137 -4.467 819 HA ASN 102 HA ASN 102 -3.535 -5.376 -5.405 820 HB2 ASN 102 2HB ASN 102 -5.641 -7.414 -6.170 821 HB3 ASN 102 1HB ASN 102 -5.514 -5.791 -6.842 822 HD21 ASN 102 1HD2 ASN 102 -3.698 -5.293 -8.153 823 HD22 ASN 102 2HD2 ASN 102 -2.811 -6.543 -8.945 824 H THR 103 H THR 103 -4.591 -3.711 -4.519 825 HA THR 103 HA THR 103 -6.937 -4.219 -2.798 826 HB THR 103 HB THR 103 -4.646 -2.346 -2.139 827 HG1 THR 103 HG1 THR 103 -4.068 -4.442 -1.630 828 HG21 THR 103 3HG2 THR 103 -7.178 -2.950 -0.587 829 HG22 THR 103 1HG2 THR 103 -6.814 -1.438 -1.419 830 HG23 THR 103 2HG2 THR 103 -5.844 -1.937 -0.034 831 H ARG 104 H ARG 104 -8.605 -2.766 -3.039 832 HA ARG 104 HA ARG 104 -8.231 -0.768 -5.171 833 HB2 ARG 104 2HB ARG 104 -9.965 -2.538 -5.485 834 HB3 ARG 104 1HB ARG 104 -10.836 -1.884 -4.100 835 HG2 ARG 104 2HG ARG 104 -11.107 0.246 -5.266 836 HG3 ARG 104 1HG ARG 104 -10.209 -0.389 -6.642 837 HD2 ARG 104 2HD ARG 104 -11.989 -2.200 -6.785 838 HD3 ARG 104 1HD ARG 104 -12.921 -1.230 -5.640 839 HE ARG 104 HE ARG 104 -11.977 0.007 -8.119 840 HH11 ARG 104 1HH1 ARG 104 -14.610 -1.067 -6.164 841 HH12 ARG 104 2HH1 ARG 104 -15.788 -0.263 -7.147 842 HH21 ARG 104 1HH2 ARG 104 -13.498 0.994 -9.363 843 HH22 ARG 104 2HH2 ARG 104 -15.171 0.873 -8.928 844 H LEU 105 H LEU 105 -8.833 1.367 -4.947 845 HA LEU 105 HA LEU 105 -9.964 2.224 -2.361 846 HB2 LEU 105 2HB LEU 105 -7.542 2.703 -2.379 847 HB3 LEU 105 1HB LEU 105 -7.737 3.617 -3.864 848 HG LEU 105 HG LEU 105 -9.208 5.219 -2.638 849 HD11 LEU 105 1HD1 LEU 105 -8.333 3.672 -0.198 850 HD12 LEU 105 2HD1 LEU 105 -9.969 3.747 -0.855 851 HD13 LEU 105 3HD1 LEU 105 -9.217 5.200 -0.197 852 HD21 LEU 105 3HD2 LEU 105 -6.431 4.854 -1.510 853 HD22 LEU 105 1HD2 LEU 105 -7.394 6.330 -1.425 854 HD23 LEU 105 2HD2 LEU 105 -6.855 5.719 -2.987 855 H ASP 106 H ASP 106 -11.752 3.430 -2.602 856 HA ASP 106 HA ASP 106 -12.303 4.571 -5.268 857 HB2 ASP 106 2HB ASP 106 -14.177 3.452 -3.180 858 HB3 ASP 106 1HB ASP 106 -14.732 4.392 -4.564 859 H VAL 107 H VAL 107 -13.333 6.576 -5.447 860 HA VAL 107 HA VAL 107 -13.463 8.225 -3.005 861 HB VAL 107 HB VAL 107 -12.356 9.140 -5.680 862 HG11 VAL 107 1HG1 VAL 107 -12.779 10.685 -3.114 863 HG12 VAL 107 2HG1 VAL 107 -13.623 10.929 -4.643 864 HG13 VAL 107 3HG1 VAL 107 -11.900 11.279 -4.521 865 HG21 VAL 107 3HG2 VAL 107 -10.977 8.811 -3.006 866 HG22 VAL 107 1HG2 VAL 107 -10.245 9.460 -4.473 867 HG23 VAL 107 2HG2 VAL 107 -10.761 7.773 -4.417 868 H THR 108 H THR 108 -15.127 9.657 -2.887 869 HA THR 108 HA THR 108 -17.172 9.553 -5.016 870 HB THR 108 HB THR 108 -17.574 9.753 -2.018 871 HG1 THR 108 HG1 THR 108 -17.819 7.684 -3.909 872 HG21 THR 108 3HG2 THR 108 -19.644 9.711 -4.220 873 HG22 THR 108 1HG2 THR 108 -19.263 11.091 -3.188 874 HG23 THR 108 2HG2 THR 108 -19.984 9.640 -2.493 875 H ALA 109 H ALA 109 -18.352 11.505 -5.414 876 HA ALA 109 HA ALA 109 -16.689 13.825 -5.233 877 HB1 ALA 109 3HB ALA 109 -18.446 14.934 -6.516 878 HB2 ALA 109 1HB ALA 109 -19.529 13.569 -6.235 879 HB3 ALA 109 2HB ALA 109 -18.071 13.355 -7.204 880 H ARG 110 H ARG 110 -16.538 15.066 -3.494 881 HA ARG 110 HA ARG 110 -18.296 14.952 -1.292 882 HB2 ARG 110 2HB ARG 110 -16.001 15.583 -0.940 883 HB3 ARG 110 1HB ARG 110 -16.153 16.947 -2.039 884 HG2 ARG 110 2HG ARG 110 -17.711 18.024 -0.486 885 HG3 ARG 110 1HG ARG 110 -17.542 16.662 0.620 886 HD2 ARG 110 2HD ARG 110 -15.156 18.245 -0.284 887 HD3 ARG 110 1HD ARG 110 -16.159 18.794 1.055 888 HE ARG 110 HE ARG 110 -14.726 16.209 1.042 889 HH11 ARG 110 1HH1 ARG 110 -15.925 18.998 2.667 890 HH12 ARG 110 2HH1 ARG 110 -15.215 18.566 4.181 891 HH21 ARG 110 1HH2 ARG 110 -13.803 15.669 2.983 892 HH22 ARG 110 2HH2 ARG 110 -14.005 16.709 4.352 893 HA PRO 111 HA PRO 111 -21.694 17.330 -2.846 894 HB2 PRO 111 2HB PRO 111 -22.173 17.915 0.040 895 HB3 PRO 111 1HB PRO 111 -23.267 17.229 -1.168 896 HG2 PRO 111 2HG PRO 111 -22.173 15.671 0.689 897 HG3 PRO 111 1HG PRO 111 -22.348 15.097 -0.981 898 HD2 PRO 111 2HD PRO 111 -19.907 16.110 0.433 899 HD3 PRO 111 1HD PRO 111 -20.065 14.758 -0.709 900 H ASN 112 H ASN 112 -19.757 18.791 -0.217 901 HA ASN 112 HA ASN 112 -20.124 21.405 -1.547 902 HB2 ASN 112 2HB ASN 112 -21.074 21.236 0.766 903 HB3 ASN 112 1HB ASN 112 -19.442 20.958 1.370 904 HD21 ASN 112 1HD2 ASN 112 -19.552 22.849 2.620 905 HD22 ASN 112 2HD2 ASN 112 -19.422 24.415 1.901 906 H GLN 113 H GLN 113 -18.389 21.785 -2.771 907 HA GLN 113 HA GLN 113 -15.719 20.991 -1.798 908 HB2 GLN 113 2HB GLN 113 -15.077 21.149 -4.236 909 HB3 GLN 113 1HB GLN 113 -16.223 19.877 -3.836 910 HG2 GLN 113 2HG GLN 113 -18.060 21.427 -4.579 911 HG3 GLN 113 1HG GLN 113 -16.805 22.512 -5.175 912 HE21 GLN 113 1HE2 GLN 113 -18.911 21.081 -6.619 913 HE22 GLN 113 2HE2 GLN 113 -18.098 20.134 -7.814 914 H THR 114 H THR 114 -14.304 22.525 -1.240 915 HA THR 114 HA THR 114 -14.734 25.296 -2.206 916 HB THR 114 HB THR 114 -13.986 26.129 0.008 917 HG1 THR 114 HG1 THR 114 -14.332 23.463 0.951 918 HG21 THR 114 3HG2 THR 114 -16.369 24.269 0.157 919 HG22 THR 114 1HG2 THR 114 -16.393 25.926 -0.445 920 HG23 THR 114 2HG2 THR 114 -16.038 25.612 1.253 921 H LEU 115 H LEU 115 -12.320 23.230 -0.565 922 HA LEU 115 HA LEU 115 -10.058 23.131 -0.633 923 HB2 LEU 115 2HB LEU 115 -10.470 22.530 -2.978 924 HB3 LEU 115 1HB LEU 115 -10.426 24.225 -3.428 925 HG LEU 115 HG LEU 115 -8.049 24.336 -2.761 926 HD11 LEU 115 1HD1 LEU 115 -8.047 22.602 -1.045 927 HD12 LEU 115 2HD1 LEU 115 -6.814 22.281 -2.264 928 HD13 LEU 115 3HD1 LEU 115 -8.323 21.368 -2.275 929 HD21 LEU 115 3HD2 LEU 115 -8.617 23.855 -5.086 930 HD22 LEU 115 1HD2 LEU 115 -8.677 22.130 -4.729 931 HD23 LEU 115 2HD2 LEU 115 -7.149 23.002 -4.613 932 HA PRO 116 HA PRO 116 -9.329 27.561 0.302 933 HB2 PRO 116 2HB PRO 116 -9.035 27.345 2.967 934 HB3 PRO 116 1HB PRO 116 -10.624 27.351 2.196 935 HG2 PRO 116 2HG PRO 116 -9.126 25.101 3.404 936 HG3 PRO 116 1HG PRO 116 -10.872 25.318 3.217 937 HD2 PRO 116 2HD PRO 116 -9.109 23.775 1.565 938 HD3 PRO 116 1HD PRO 116 -10.848 24.046 1.338 Start of MODEL 18 1 H1 MET 1 1H MET 1 42.593 -23.262 12.155 2 H2 MET 1 2H MET 1 43.101 -21.786 12.794 3 H3 MET 1 3H MET 1 44.233 -22.996 12.470 4 HA MET 1 HA MET 1 42.592 -21.570 10.459 5 HB2 MET 1 2HB MET 1 45.548 -21.382 11.083 6 HB3 MET 1 1HB MET 1 44.766 -20.626 9.702 7 HG2 MET 1 2HG MET 1 43.390 -19.289 11.240 8 HG3 MET 1 1HG MET 1 44.234 -20.017 12.604 9 HE1 MET 1 3HE MET 1 44.548 -17.717 9.446 10 HE2 MET 1 1HE MET 1 45.758 -18.959 9.121 11 HE3 MET 1 2HE MET 1 46.262 -17.306 9.468 12 H GLY 2 H GLY 2 43.122 -22.089 8.245 13 HA2 GLY 2 2HA GLY 2 44.513 -23.435 6.719 14 HA3 GLY 2 1HA GLY 2 44.453 -24.720 7.914 15 H HIS 3 H HIS 3 43.546 -26.257 6.566 16 HA HIS 3 HA HIS 3 41.093 -25.667 5.112 17 HB2 HIS 3 2HB HIS 3 42.829 -28.130 5.301 18 HB3 HIS 3 1HB HIS 3 41.312 -28.097 4.406 19 HD1 HIS 3 HD1 HIS 3 41.575 -27.566 2.012 20 HD2 HIS 3 HD2 HIS 3 44.655 -25.942 4.281 21 HE1 HIS 3 HE1 HIS 3 43.139 -26.509 0.361 22 HE2 HIS 3 HE2 HIS 3 45.074 -25.695 1.740 23 H HIS 4 H HIS 4 40.568 -25.326 7.749 24 HA HIS 4 HA HIS 4 39.118 -27.721 8.636 25 HB2 HIS 4 2HB HIS 4 39.860 -25.134 9.986 26 HB3 HIS 4 1HB HIS 4 38.587 -26.155 10.646 27 HD1 HIS 4 HD1 HIS 4 42.212 -26.649 9.535 28 HD2 HIS 4 HD2 HIS 4 39.546 -27.907 12.463 29 HE1 HIS 4 HE1 HIS 4 43.529 -28.148 11.045 30 HE2 HIS 4 HE2 HIS 4 41.946 -28.764 12.889 31 H HIS 5 H HIS 5 36.882 -27.762 8.915 32 HA HIS 5 HA HIS 5 35.406 -25.894 7.245 33 HB2 HIS 5 2HB HIS 5 34.468 -28.345 8.764 34 HB3 HIS 5 1HB HIS 5 33.480 -27.399 7.652 35 HD1 HIS 5 HD1 HIS 5 34.337 -27.376 5.107 36 HD2 HIS 5 HD2 HIS 5 35.980 -30.301 7.560 37 HE1 HIS 5 HE1 HIS 5 35.404 -29.036 3.553 38 HE2 HIS 5 HE2 HIS 5 36.468 -30.745 5.057 39 H HIS 6 H HIS 6 35.587 -23.996 8.460 40 HA HIS 6 HA HIS 6 34.862 -23.777 11.189 41 HB2 HIS 6 2HB HIS 6 35.002 -21.364 10.840 42 HB3 HIS 6 1HB HIS 6 36.344 -22.168 10.034 43 HD1 HIS 6 HD1 HIS 6 33.252 -20.185 9.365 44 HD2 HIS 6 HD2 HIS 6 36.306 -21.999 7.212 45 HE1 HIS 6 HE1 HIS 6 33.044 -19.295 7.031 46 HE2 HIS 6 HE2 HIS 6 34.744 -20.585 5.708 47 H HIS 7 H HIS 7 32.881 -23.837 12.097 48 HA HIS 7 HA HIS 7 30.576 -22.856 10.542 49 HB2 HIS 7 2HB HIS 7 30.824 -25.553 11.861 50 HB3 HIS 7 1HB HIS 7 29.250 -24.816 11.591 51 HD1 HIS 7 HD1 HIS 7 28.312 -24.880 9.238 52 HD2 HIS 7 HD2 HIS 7 32.195 -26.337 9.480 53 HE1 HIS 7 HE1 HIS 7 28.778 -25.926 7.008 54 HE2 HIS 7 HE2 HIS 7 31.145 -26.756 7.152 55 H HIS 8 H HIS 8 30.573 -20.970 11.838 56 HA HIS 8 HA HIS 8 28.802 -21.392 14.111 57 HB2 HIS 8 2HB HIS 8 29.941 -19.735 15.542 58 HB3 HIS 8 1HB HIS 8 30.947 -21.142 15.234 59 HD1 HIS 8 HD1 HIS 8 30.530 -17.705 13.605 60 HD2 HIS 8 HD2 HIS 8 33.490 -20.378 14.778 61 HE1 HIS 8 HE1 HIS 8 32.706 -16.585 13.056 62 HE2 HIS 8 HE2 HIS 8 34.468 -18.135 13.945 63 H SER 9 H SER 9 28.183 -20.627 11.528 64 HA SER 9 HA SER 9 27.214 -17.879 11.915 65 HB2 SER 9 2HB SER 9 28.513 -18.859 9.358 66 HB3 SER 9 1HB SER 9 27.774 -17.278 9.598 67 HG SER 9 HG SER 9 30.149 -17.460 9.839 68 H HIS 10 H HIS 10 25.074 -17.867 11.708 69 HA HIS 10 HA HIS 10 23.809 -19.309 9.484 70 HB2 HIS 10 2HB HIS 10 22.948 -19.548 12.378 71 HB3 HIS 10 1HB HIS 10 21.896 -19.959 11.030 72 HD1 HIS 10 HD1 HIS 10 24.763 -21.213 13.020 73 HD2 HIS 10 HD2 HIS 10 22.603 -22.337 9.654 74 HE1 HIS 10 HE1 HIS 10 25.391 -23.602 12.585 75 HE2 HIS 10 HE2 HIS 10 23.918 -24.317 10.682 76 H GLU 11 H GLU 11 22.688 -17.820 8.352 77 HA GLU 11 HA GLU 11 21.628 -15.471 9.777 78 HB2 GLU 11 2HB GLU 11 22.235 -15.912 6.847 79 HB3 GLU 11 1HB GLU 11 21.453 -14.466 7.479 80 HG2 GLU 11 2HG GLU 11 23.418 -13.993 8.855 81 HG3 GLU 11 1HG GLU 11 24.206 -15.444 8.238 82 H HIS 12 H HIS 12 19.491 -14.887 9.673 83 HA HIS 12 HA HIS 12 17.667 -17.071 9.107 84 HB2 HIS 12 2HB HIS 12 17.190 -14.360 10.361 85 HB3 HIS 12 1HB HIS 12 15.984 -15.639 10.233 86 HD1 HIS 12 HD1 HIS 12 18.628 -14.395 12.393 87 HD2 HIS 12 HD2 HIS 12 16.730 -18.031 11.747 88 HE1 HIS 12 HE1 HIS 12 19.207 -15.816 14.373 89 HE2 HIS 12 HE2 HIS 12 18.184 -18.056 13.882 90 H LYS 13 H LYS 13 16.905 -17.301 7.106 91 HA LYS 13 HA LYS 13 15.978 -14.882 5.681 92 HB2 LYS 13 2HB LYS 13 16.811 -17.533 4.472 93 HB3 LYS 13 1HB LYS 13 16.280 -16.110 3.582 94 HG2 LYS 13 2HG LYS 13 18.234 -14.871 4.526 95 HG3 LYS 13 1HG LYS 13 18.787 -16.387 5.234 96 HD2 LYS 13 2HD LYS 13 19.975 -16.039 3.175 97 HD3 LYS 13 1HD LYS 13 18.843 -17.372 2.937 98 HE2 LYS 13 2HE LYS 13 17.312 -15.920 1.761 99 HE3 LYS 13 1HE LYS 13 18.303 -14.510 2.132 100 HZ1 LYS 13 3HZ LYS 13 18.760 -15.159 -0.087 101 HZ2 LYS 13 1HZ LYS 13 19.004 -16.775 0.350 102 HZ3 LYS 13 2HZ LYS 13 20.109 -15.589 0.833 103 H ARG 14 H ARG 14 13.873 -14.670 5.491 104 HA ARG 14 HA ARG 14 12.093 -17.016 5.561 105 HB2 ARG 14 2HB ARG 14 12.109 -16.183 7.822 106 HB3 ARG 14 1HB ARG 14 11.940 -14.525 7.273 107 HG2 ARG 14 2HG ARG 14 9.857 -15.257 8.203 108 HG3 ARG 14 1HG ARG 14 9.666 -15.053 6.463 109 HD2 ARG 14 2HD ARG 14 9.824 -17.452 6.131 110 HD3 ARG 14 1HD ARG 14 10.136 -17.695 7.852 111 HE ARG 14 HE ARG 14 7.826 -16.629 8.128 112 HH11 ARG 14 1HH1 ARG 14 8.715 -18.596 5.447 113 HH12 ARG 14 2HH1 ARG 14 7.096 -19.117 5.161 114 HH21 ARG 14 1HH2 ARG 14 5.753 -17.308 7.750 115 HH22 ARG 14 2HH2 ARG 14 5.439 -18.404 6.452 116 H ALA 15 H ALA 15 10.806 -16.971 3.816 117 HA ALA 15 HA ALA 15 10.652 -14.767 2.049 118 HB1 ALA 15 3HB ALA 15 8.882 -17.210 2.160 119 HB2 ALA 15 1HB ALA 15 10.426 -17.091 1.314 120 HB3 ALA 15 2HB ALA 15 9.059 -16.107 0.794 121 HA PRO 16 HA PRO 16 7.531 -12.262 3.933 122 HB2 PRO 16 2HB PRO 16 6.539 -11.025 1.681 123 HB3 PRO 16 1HB PRO 16 8.046 -10.572 2.481 124 HG2 PRO 16 2HG PRO 16 7.631 -12.316 0.077 125 HG3 PRO 16 1HG PRO 16 8.848 -11.051 0.344 126 HD2 PRO 16 2HD PRO 16 9.459 -13.650 0.602 127 HD3 PRO 16 1HD PRO 16 10.163 -12.427 1.681 128 H MET 17 H MET 17 5.624 -12.867 4.698 129 HA MET 17 HA MET 17 3.663 -14.165 2.906 130 HB2 MET 17 2HB MET 17 4.410 -15.795 4.487 131 HB3 MET 17 1HB MET 17 4.277 -14.661 5.825 132 HG2 MET 17 2HG MET 17 2.485 -16.339 5.820 133 HG3 MET 17 1HG MET 17 1.865 -14.696 5.670 134 HE1 MET 17 3HE MET 17 -0.497 -15.535 4.838 135 HE2 MET 17 1HE MET 17 0.046 -17.200 5.047 136 HE3 MET 17 2HE MET 17 -0.717 -16.706 3.537 137 H PHE 18 H PHE 18 1.852 -13.013 2.559 138 HA PHE 18 HA PHE 18 1.106 -10.757 4.193 139 HB2 PHE 18 2HB PHE 18 -0.043 -12.096 1.768 140 HB3 PHE 18 1HB PHE 18 -1.082 -11.040 2.714 141 HD1 PHE 18 HD1 PHE 18 -0.550 -8.639 2.924 142 HD2 PHE 18 HD2 PHE 18 1.664 -11.209 0.351 143 HE1 PHE 18 HE1 PHE 18 0.316 -6.681 1.715 144 HE2 PHE 18 HE2 PHE 18 2.535 -9.252 -0.857 145 HZ PHE 18 HZ PHE 18 1.859 -6.987 -0.177 146 H ILE 19 H ILE 19 0.432 -11.242 6.229 147 HA ILE 19 HA ILE 19 -1.265 -13.483 6.848 148 HB ILE 19 HB ILE 19 -0.691 -11.055 8.571 149 HG12 ILE 19 2HG1 ILE 19 0.806 -13.693 8.430 150 HG13 ILE 19 1HG1 ILE 19 1.404 -12.151 7.826 151 HG21 ILE 19 1HG2 ILE 19 -1.581 -13.852 9.309 152 HG22 ILE 19 2HG2 ILE 19 -2.584 -12.402 9.343 153 HG23 ILE 19 3HG2 ILE 19 -1.217 -12.552 10.446 154 HD11 ILE 19 3HD1 ILE 19 0.800 -12.812 10.705 155 HD12 ILE 19 1HD1 ILE 19 1.385 -11.257 10.107 156 HD13 ILE 19 2HD1 ILE 19 2.399 -12.695 9.970 157 H TYR 20 H TYR 20 -1.730 -10.072 6.184 158 HA TYR 20 HA TYR 20 -4.642 -10.500 5.993 159 HB2 TYR 20 2HB TYR 20 -3.318 -8.066 7.231 160 HB3 TYR 20 1HB TYR 20 -5.039 -8.236 6.914 161 HD1 TYR 20 HD1 TYR 20 -6.385 -9.857 8.249 162 HD2 TYR 20 HD2 TYR 20 -2.316 -9.025 9.167 163 HE1 TYR 20 HE1 TYR 20 -6.708 -10.796 10.499 164 HE2 TYR 20 HE2 TYR 20 -2.625 -9.957 11.416 165 HH TYR 20 HH TYR 20 -4.433 -10.360 13.002 166 H LYS 21 H LYS 21 -5.651 -9.347 4.332 167 HA LYS 21 HA LYS 21 -3.880 -7.928 2.463 168 HB2 LYS 21 2HB LYS 21 -5.681 -8.150 0.820 169 HB3 LYS 21 1HB LYS 21 -5.258 -9.719 1.494 170 HG2 LYS 21 2HG LYS 21 -7.230 -9.762 2.840 171 HG3 LYS 21 1HG LYS 21 -7.602 -8.082 2.455 172 HD2 LYS 21 2HD LYS 21 -9.023 -9.600 1.170 173 HD3 LYS 21 1HD LYS 21 -7.951 -8.690 0.104 174 HE2 LYS 21 2HE LYS 21 -6.429 -10.642 0.032 175 HE3 LYS 21 1HE LYS 21 -7.576 -11.547 1.019 176 HZ1 LYS 21 3HZ LYS 21 -9.234 -11.193 -0.755 177 HZ2 LYS 21 1HZ LYS 21 -7.902 -12.097 -1.268 178 HZ3 LYS 21 2HZ LYS 21 -8.037 -10.473 -1.707 179 HA PRO 22 HA PRO 22 -5.782 -4.048 3.658 180 HB2 PRO 22 2HB PRO 22 -5.094 -2.777 1.179 181 HB3 PRO 22 1HB PRO 22 -4.267 -2.645 2.729 182 HG2 PRO 22 2HG PRO 22 -3.271 -3.888 0.443 183 HG3 PRO 22 1HG PRO 22 -2.636 -4.080 2.082 184 HD2 PRO 22 2HD PRO 22 -4.346 -5.905 0.480 185 HD3 PRO 22 1HD PRO 22 -3.175 -6.282 1.761 186 H GLN 23 H GLN 23 -7.907 -3.560 3.564 187 HA GLN 23 HA GLN 23 -9.443 -4.619 1.330 188 HB2 GLN 23 2HB GLN 23 -10.339 -3.557 4.019 189 HB3 GLN 23 1HB GLN 23 -11.413 -4.241 2.808 190 HG2 GLN 23 2HG GLN 23 -9.141 -5.735 4.116 191 HG3 GLN 23 1HG GLN 23 -10.820 -5.811 4.638 192 HE21 GLN 23 1HE2 GLN 23 -10.968 -8.012 4.252 193 HE22 GLN 23 2HE2 GLN 23 -11.015 -8.676 2.659 194 H SER 24 H SER 24 -10.966 -3.469 0.153 195 HA SER 24 HA SER 24 -10.156 -0.873 -0.614 196 HB2 SER 24 2HB SER 24 -12.130 -0.942 -2.123 197 HB3 SER 24 1HB SER 24 -11.154 -2.404 -2.218 198 HG SER 24 HG SER 24 -13.571 -2.084 -0.750 199 H LYS 25 H LYS 25 -10.688 1.060 0.119 200 HA LYS 25 HA LYS 25 -13.122 1.383 1.771 201 HB2 LYS 25 2HB LYS 25 -10.560 3.003 1.886 202 HB3 LYS 25 1HB LYS 25 -11.969 3.231 2.909 203 HG2 LYS 25 2HG LYS 25 -10.222 0.769 2.866 204 HG3 LYS 25 1HG LYS 25 -10.137 2.063 4.060 205 HD2 LYS 25 2HD LYS 25 -12.493 0.225 3.571 206 HD3 LYS 25 1HD LYS 25 -11.387 0.162 4.943 207 HE2 LYS 25 2HE LYS 25 -12.125 2.465 5.560 208 HE3 LYS 25 1HE LYS 25 -13.316 2.383 4.263 209 HZ1 LYS 25 3HZ LYS 25 -13.215 0.819 6.764 210 HZ2 LYS 25 1HZ LYS 25 -14.125 0.295 5.435 211 HZ3 LYS 25 2HZ LYS 25 -14.471 1.778 6.162 212 H LYS 26 H LYS 26 -14.125 3.564 1.649 213 HA LYS 26 HA LYS 26 -13.627 4.961 -0.899 214 HB2 LYS 26 2HB LYS 26 -16.056 5.320 -1.153 215 HB3 LYS 26 1HB LYS 26 -15.629 3.615 -1.196 216 HG2 LYS 26 2HG LYS 26 -16.413 3.308 1.070 217 HG3 LYS 26 1HG LYS 26 -16.722 5.038 1.233 218 HD2 LYS 26 2HD LYS 26 -18.104 3.177 -0.713 219 HD3 LYS 26 1HD LYS 26 -18.787 3.763 0.804 220 HE2 LYS 26 2HE LYS 26 -18.633 6.074 -0.033 221 HE3 LYS 26 1HE LYS 26 -17.981 5.469 -1.557 222 HZ1 LYS 26 3HZ LYS 26 -20.073 4.218 -1.846 223 HZ2 LYS 26 1HZ LYS 26 -20.310 5.891 -1.801 224 HZ3 LYS 26 2HZ LYS 26 -20.688 4.945 -0.452 225 H VAL 27 H VAL 27 -13.592 7.169 -0.815 226 HA VAL 27 HA VAL 27 -14.464 8.511 1.661 227 HB VAL 27 HB VAL 27 -12.385 9.858 1.726 228 HG11 VAL 27 1HG1 VAL 27 -12.576 7.923 3.195 229 HG12 VAL 27 2HG1 VAL 27 -10.908 8.128 2.658 230 HG13 VAL 27 3HG1 VAL 27 -11.921 6.877 1.934 231 HG21 VAL 27 3HG2 VAL 27 -11.364 7.917 -0.357 232 HG22 VAL 27 1HG2 VAL 27 -10.418 9.166 0.453 233 HG23 VAL 27 2HG2 VAL 27 -11.736 9.621 -0.630 234 H LEU 28 H LEU 28 -14.218 10.990 1.394 235 HA LEU 28 HA LEU 28 -15.252 11.768 -1.246 236 HB2 LEU 28 2HB LEU 28 -15.206 13.247 1.393 237 HB3 LEU 28 1HB LEU 28 -15.845 13.912 -0.099 238 HG LEU 28 HG LEU 28 -16.941 11.486 1.344 239 HD11 LEU 28 1HD1 LEU 28 -18.011 14.303 1.134 240 HD12 LEU 28 2HD1 LEU 28 -17.366 13.535 2.585 241 HD13 LEU 28 3HD1 LEU 28 -18.855 12.934 1.859 242 HD21 LEU 28 3HD2 LEU 28 -17.253 11.373 -1.086 243 HD22 LEU 28 1HD2 LEU 28 -18.006 12.969 -1.064 244 HD23 LEU 28 2HD2 LEU 28 -18.782 11.615 -0.244 245 H GLU 29 H GLU 29 -14.493 13.775 -2.217 246 HA GLU 29 HA GLU 29 -11.725 13.917 -2.530 247 HB2 GLU 29 2HB GLU 29 -13.810 16.037 -3.097 248 HB3 GLU 29 1HB GLU 29 -12.147 16.094 -3.671 249 HG2 GLU 29 2HG GLU 29 -12.580 13.921 -4.846 250 HG3 GLU 29 1HG GLU 29 -14.280 14.106 -4.416 251 H GLY 30 H GLY 30 -10.292 14.423 -0.991 252 HA2 GLY 30 2HA GLY 30 -9.256 16.374 0.126 253 HA3 GLY 30 1HA GLY 30 -10.852 16.759 0.748 254 H ASP 31 H ASP 31 -11.230 13.720 1.199 255 HA ASP 31 HA ASP 31 -10.292 13.712 3.904 256 HB2 ASP 31 2HB ASP 31 -11.614 11.581 2.222 257 HB3 ASP 31 1HB ASP 31 -11.175 11.336 3.909 258 H SER 32 H SER 32 -9.201 11.649 4.748 259 HA SER 32 HA SER 32 -6.944 10.874 3.011 260 HB2 SER 32 2HB SER 32 -5.496 10.841 5.036 261 HB3 SER 32 1HB SER 32 -6.118 12.455 4.692 262 HG SER 32 HG SER 32 -7.715 12.097 6.296 263 H VAL 33 H VAL 33 -6.210 8.741 3.212 264 HA VAL 33 HA VAL 33 -7.882 6.939 4.857 265 HB VAL 33 HB VAL 33 -8.685 6.925 2.501 266 HG11 VAL 33 1HG1 VAL 33 -6.619 7.400 1.338 267 HG12 VAL 33 2HG1 VAL 33 -7.289 5.874 0.757 268 HG13 VAL 33 3HG1 VAL 33 -5.924 5.871 1.879 269 HG21 VAL 33 3HG2 VAL 33 -7.411 4.336 3.399 270 HG22 VAL 33 1HG2 VAL 33 -8.710 4.489 2.215 271 HG23 VAL 33 2HG2 VAL 33 -8.989 4.945 3.895 272 H LYS 34 H LYS 34 -6.882 5.060 5.599 273 HA LYS 34 HA LYS 34 -3.987 4.822 5.092 274 HB2 LYS 34 2HB LYS 34 -3.837 3.931 7.457 275 HB3 LYS 34 1HB LYS 34 -4.197 5.645 7.310 276 HG2 LYS 34 2HG LYS 34 -6.626 5.069 7.631 277 HG3 LYS 34 1HG LYS 34 -6.112 3.425 8.013 278 HD2 LYS 34 2HD LYS 34 -5.204 5.910 9.482 279 HD3 LYS 34 1HD LYS 34 -6.488 4.828 10.029 280 HE2 LYS 34 2HE LYS 34 -3.634 3.966 9.537 281 HE3 LYS 34 1HE LYS 34 -4.269 4.424 11.116 282 HZ1 LYS 34 3HZ LYS 34 -5.873 2.619 10.941 283 HZ2 LYS 34 1HZ LYS 34 -4.291 2.035 10.826 284 HZ3 LYS 34 2HZ LYS 34 -5.244 2.173 9.439 285 H LEU 35 H LEU 35 -3.524 3.034 4.034 286 HA LEU 35 HA LEU 35 -5.229 0.641 4.365 287 HB2 LEU 35 2HB LEU 35 -3.354 1.360 2.093 288 HB3 LEU 35 1HB LEU 35 -4.395 -0.051 2.162 289 HG LEU 35 HG LEU 35 -5.381 2.810 2.066 290 HD11 LEU 35 1HD1 LEU 35 -5.285 0.724 -0.113 291 HD12 LEU 35 2HD1 LEU 35 -4.287 2.174 -0.022 292 HD13 LEU 35 3HD1 LEU 35 -6.031 2.318 -0.235 293 HD21 LEU 35 3HD2 LEU 35 -6.931 1.316 3.209 294 HD22 LEU 35 1HD2 LEU 35 -6.869 0.189 1.852 295 HD23 LEU 35 2HD2 LEU 35 -7.570 1.794 1.636 296 H GLU 36 H GLU 36 -4.328 -0.866 5.679 297 HA GLU 36 HA GLU 36 -1.398 -1.175 5.625 298 HB2 GLU 36 2HB GLU 36 -1.428 -1.514 8.080 299 HB3 GLU 36 1HB GLU 36 -1.903 0.108 7.593 300 HG2 GLU 36 2HG GLU 36 -4.243 -0.446 7.953 301 HG3 GLU 36 1HG GLU 36 -3.801 -2.100 8.379 302 H CYS 37 H CYS 37 -0.549 -3.183 6.233 303 HA CYS 37 HA CYS 37 -2.322 -5.444 6.684 304 HB2 CYS 37 2HB CYS 37 -1.429 -6.739 4.784 305 HB3 CYS 37 1HB CYS 37 -2.278 -5.299 4.235 306 HG CYS 37 HG CYS 37 -0.247 -5.332 2.508 307 H GLN 38 H GLN 38 -1.009 -7.485 7.046 308 HA GLN 38 HA GLN 38 1.530 -6.793 8.387 309 HB2 GLN 38 2HB GLN 38 -0.390 -9.075 8.918 310 HB3 GLN 38 1HB GLN 38 1.149 -8.856 9.736 311 HG2 GLN 38 2HG GLN 38 -1.125 -6.880 9.819 312 HG3 GLN 38 1HG GLN 38 -0.807 -8.101 11.049 313 HE21 GLN 38 1HE2 GLN 38 2.096 -7.788 10.859 314 HE22 GLN 38 2HE2 GLN 38 2.458 -6.296 11.639 315 H ILE 39 H ILE 39 3.239 -7.315 7.189 316 HA ILE 39 HA ILE 39 3.229 -9.840 5.648 317 HB ILE 39 HB ILE 39 5.012 -7.423 5.236 318 HG12 ILE 39 2HG1 ILE 39 2.634 -8.360 3.597 319 HG13 ILE 39 1HG1 ILE 39 2.662 -6.938 4.636 320 HG21 ILE 39 1HG2 ILE 39 4.665 -9.922 3.564 321 HG22 ILE 39 2HG2 ILE 39 6.064 -9.529 4.564 322 HG23 ILE 39 3HG2 ILE 39 5.685 -8.542 3.154 323 HD11 ILE 39 3HD1 ILE 39 4.357 -5.922 3.213 324 HD12 ILE 39 1HD1 ILE 39 2.921 -6.354 2.286 325 HD13 ILE 39 2HD1 ILE 39 4.367 -7.359 2.186 326 H SER 40 H SER 40 4.384 -11.438 6.595 327 HA SER 40 HA SER 40 6.509 -10.745 8.500 328 HB2 SER 40 2HB SER 40 4.877 -12.416 9.229 329 HB3 SER 40 1HB SER 40 5.251 -13.423 7.835 330 HG SER 40 HG SER 40 6.494 -13.296 10.217 331 H ALA 41 H ALA 41 8.339 -10.227 7.410 332 HA ALA 41 HA ALA 41 9.554 -12.342 5.752 333 HB1 ALA 41 3HB ALA 41 9.724 -9.397 5.116 334 HB2 ALA 41 1HB ALA 41 8.694 -10.554 4.278 335 HB3 ALA 41 2HB ALA 41 10.448 -10.719 4.199 336 H ILE 42 H ILE 42 11.799 -12.583 5.933 337 HA ILE 42 HA ILE 42 13.284 -10.677 7.614 338 HB ILE 42 HB ILE 42 13.407 -13.679 8.048 339 HG12 ILE 42 2HG1 ILE 42 12.366 -11.494 9.885 340 HG13 ILE 42 1HG1 ILE 42 11.373 -12.668 9.029 341 HG21 ILE 42 1HG2 ILE 42 14.957 -13.146 9.881 342 HG22 ILE 42 2HG2 ILE 42 14.896 -11.441 9.430 343 HG23 ILE 42 3HG2 ILE 42 15.585 -12.623 8.318 344 HD11 ILE 42 3HD1 ILE 42 13.407 -13.305 11.157 345 HD12 ILE 42 1HD1 ILE 42 12.395 -14.474 10.308 346 HD13 ILE 42 2HD1 ILE 42 11.657 -13.269 11.364 347 HA PRO 43 HA PRO 43 14.808 -9.446 7.409 348 HB2 PRO 43 2HB PRO 43 16.126 -8.051 5.195 349 HB3 PRO 43 1HB PRO 43 16.687 -8.290 6.850 350 HG2 PRO 43 2HG PRO 43 17.846 -9.514 4.716 351 HG3 PRO 43 1HG PRO 43 17.799 -10.236 6.334 352 HD2 PRO 43 2HD PRO 43 16.054 -10.795 3.957 353 HD3 PRO 43 1HD PRO 43 16.796 -11.933 5.105 354 HA PRO 44 HA PRO 44 11.314 -7.162 5.752 355 HB2 PRO 44 2HB PRO 44 13.119 -4.760 5.670 356 HB3 PRO 44 1HB PRO 44 11.471 -4.910 6.299 357 HG2 PRO 44 2HG PRO 44 13.531 -4.889 7.973 358 HG3 PRO 44 1HG PRO 44 12.170 -5.995 8.242 359 HD2 PRO 44 2HD PRO 44 14.910 -6.577 7.208 360 HD3 PRO 44 1HD PRO 44 13.846 -7.580 8.213 361 HA PRO 45 HA PRO 45 12.268 -7.155 1.380 362 HB2 PRO 45 2HB PRO 45 9.778 -7.298 0.446 363 HB3 PRO 45 1HB PRO 45 10.455 -8.617 1.410 364 HG2 PRO 45 2HG PRO 45 8.534 -6.471 2.217 365 HG3 PRO 45 1HG PRO 45 8.571 -8.179 2.689 366 HD2 PRO 45 2HD PRO 45 9.581 -6.028 4.189 367 HD3 PRO 45 1HD PRO 45 9.937 -7.745 4.458 368 H LYS 46 H LYS 46 11.873 -5.948 -0.599 369 HA LYS 46 HA LYS 46 11.491 -3.109 -0.204 370 HB2 LYS 46 2HB LYS 46 13.212 -3.979 -1.752 371 HB3 LYS 46 1HB LYS 46 11.952 -4.690 -2.750 372 HG2 LYS 46 2HG LYS 46 12.737 -2.648 -3.746 373 HG3 LYS 46 1HG LYS 46 11.065 -2.448 -3.216 374 HD2 LYS 46 2HD LYS 46 11.809 -1.231 -1.244 375 HD3 LYS 46 1HD LYS 46 13.496 -1.509 -1.685 376 HE2 LYS 46 2HE LYS 46 13.127 -0.242 -3.774 377 HE3 LYS 46 1HE LYS 46 11.475 0.093 -3.257 378 HZ1 LYS 46 3HZ LYS 46 13.048 1.915 -2.811 379 HZ2 LYS 46 1HZ LYS 46 13.902 0.908 -1.755 380 HZ3 LYS 46 2HZ LYS 46 12.305 1.339 -1.406 381 H LEU 47 H LEU 47 9.589 -2.105 -0.329 382 HA LEU 47 HA LEU 47 7.236 -3.545 -1.296 383 HB2 LEU 47 2HB LEU 47 7.439 -0.889 0.133 384 HB3 LEU 47 1HB LEU 47 5.965 -1.794 -0.161 385 HG LEU 47 HG LEU 47 8.246 -2.736 1.593 386 HD11 LEU 47 1HD1 LEU 47 5.567 -1.569 2.346 387 HD12 LEU 47 2HD1 LEU 47 7.146 -0.818 2.585 388 HD13 LEU 47 3HD1 LEU 47 6.726 -2.287 3.465 389 HD21 LEU 47 3HD2 LEU 47 6.693 -4.473 2.318 390 HD22 LEU 47 1HD2 LEU 47 6.989 -4.576 0.583 391 HD23 LEU 47 2HD2 LEU 47 5.480 -3.882 1.181 392 H PHE 48 H PHE 48 6.397 -3.199 -3.262 393 HA PHE 48 HA PHE 48 6.779 -0.559 -4.548 394 HB2 PHE 48 2HB PHE 48 6.401 -3.273 -5.843 395 HB3 PHE 48 1HB PHE 48 6.455 -1.750 -6.720 396 HD1 PHE 48 HD1 PHE 48 8.587 -0.374 -6.619 397 HD2 PHE 48 HD2 PHE 48 8.378 -4.419 -5.288 398 HE1 PHE 48 HE1 PHE 48 11.035 -0.555 -6.780 399 HE2 PHE 48 HE2 PHE 48 10.825 -4.598 -5.453 400 HZ PHE 48 HZ PHE 48 12.155 -2.670 -6.191 401 H TRP 49 H TRP 49 4.995 0.429 -5.521 402 HA TRP 49 HA TRP 49 2.370 -0.857 -5.158 403 HB2 TRP 49 2HB TRP 49 3.172 1.940 -4.352 404 HB3 TRP 49 1HB TRP 49 1.491 1.488 -4.608 405 HD1 TRP 49 HD1 TRP 49 4.437 0.789 -2.234 406 HE1 TRP 49 HE1 TRP 49 3.492 -0.140 -0.029 407 HE3 TRP 49 HE3 TRP 49 -0.460 0.283 -3.602 408 HZ2 TRP 49 HZ2 TRP 49 0.992 -0.973 1.000 409 HZ3 TRP 49 HZ3 TRP 49 -2.068 -0.583 -1.954 410 HH2 TRP 49 HH2 TRP 49 -1.356 -1.199 0.302 411 H LYS 50 H LYS 50 1.287 -0.971 -7.016 412 HA LYS 50 HA LYS 50 1.627 1.206 -8.993 413 HB2 LYS 50 2HB LYS 50 2.467 -0.877 -9.923 414 HB3 LYS 50 1HB LYS 50 0.974 -1.711 -9.501 415 HG2 LYS 50 2HG LYS 50 -0.236 -0.142 -11.043 416 HG3 LYS 50 1HG LYS 50 1.335 0.470 -11.549 417 HD2 LYS 50 2HD LYS 50 0.450 -2.412 -11.801 418 HD3 LYS 50 1HD LYS 50 0.365 -1.222 -13.096 419 HE2 LYS 50 2HE LYS 50 2.342 -2.325 -13.569 420 HE3 LYS 50 1HE LYS 50 2.906 -0.924 -12.664 421 HZ1 LYS 50 3HZ LYS 50 3.160 -2.271 -10.717 422 HZ2 LYS 50 1HZ LYS 50 3.952 -3.038 -11.995 423 HZ3 LYS 50 2HZ LYS 50 2.449 -3.605 -11.473 424 H ARG 51 H ARG 51 -0.145 2.378 -9.450 425 HA ARG 51 HA ARG 51 -2.789 1.337 -8.630 426 HB2 ARG 51 2HB ARG 51 -2.093 3.434 -7.511 427 HB3 ARG 51 1HB ARG 51 -1.924 4.206 -9.083 428 HG2 ARG 51 2HG ARG 51 -4.402 3.611 -9.429 429 HG3 ARG 51 1HG ARG 51 -4.431 3.304 -7.691 430 HD2 ARG 51 2HD ARG 51 -5.162 5.534 -7.963 431 HD3 ARG 51 1HD ARG 51 -3.493 5.645 -7.402 432 HE ARG 51 HE ARG 51 -3.572 5.685 -10.232 433 HH11 ARG 51 1HH1 ARG 51 -4.266 7.668 -7.493 434 HH12 ARG 51 2HH1 ARG 51 -4.029 9.133 -8.383 435 HH21 ARG 51 1HH2 ARG 51 -3.325 7.585 -11.344 436 HH22 ARG 51 2HH2 ARG 51 -3.550 9.091 -10.517 437 H ASN 52 H ASN 52 -3.832 0.501 -10.403 438 HA ASN 52 HA ASN 52 -4.922 0.465 -12.415 439 HB2 ASN 52 2HB ASN 52 -5.835 2.537 -11.330 440 HB3 ASN 52 1HB ASN 52 -4.641 3.477 -12.215 441 HD21 ASN 52 1HD2 ASN 52 -6.258 4.649 -13.207 442 HD22 ASN 52 2HD2 ASN 52 -7.240 3.991 -14.460 443 H ASN 53 H ASN 53 -2.292 -0.102 -12.751 444 HA ASN 53 HA ASN 53 -0.683 -0.361 -14.325 445 HB2 ASN 53 2HB ASN 53 -2.472 1.399 -16.012 446 HB3 ASN 53 1HB ASN 53 -0.983 0.671 -16.605 447 HD21 ASN 53 1HD2 ASN 53 -3.748 0.263 -17.460 448 HD22 ASN 53 2HD2 ASN 53 -4.039 -1.433 -17.306 449 H GLU 54 H GLU 54 -1.199 2.419 -12.700 450 HA GLU 54 HA GLU 54 1.066 3.876 -13.887 451 HB2 GLU 54 2HB GLU 54 -0.868 4.783 -11.741 452 HB3 GLU 54 1HB GLU 54 0.347 5.777 -12.533 453 HG2 GLU 54 2HG GLU 54 -0.827 5.568 -14.650 454 HG3 GLU 54 1HG GLU 54 -2.018 4.502 -13.902 455 H MET 55 H MET 55 2.958 4.236 -12.787 456 HA MET 55 HA MET 55 3.534 2.708 -10.416 457 HB2 MET 55 2HB MET 55 5.223 3.110 -12.190 458 HB3 MET 55 1HB MET 55 5.186 4.826 -11.825 459 HG2 MET 55 2HG MET 55 7.036 4.251 -10.647 460 HG3 MET 55 1HG MET 55 5.826 3.950 -9.403 461 HE1 MET 55 3HE MET 55 5.149 1.594 -8.518 462 HE2 MET 55 1HE MET 55 5.589 0.074 -9.301 463 HE3 MET 55 2HE MET 55 4.496 1.197 -10.110 464 H VAL 56 H VAL 56 3.018 3.364 -8.380 465 HA VAL 56 HA VAL 56 1.953 5.941 -7.854 466 HB VAL 56 HB VAL 56 2.877 3.839 -5.876 467 HG11 VAL 56 1HG1 VAL 56 1.099 6.250 -5.457 468 HG12 VAL 56 2HG1 VAL 56 2.725 6.028 -4.810 469 HG13 VAL 56 3HG1 VAL 56 1.412 4.987 -4.264 470 HG21 VAL 56 3HG2 VAL 56 0.501 3.224 -5.750 471 HG22 VAL 56 1HG2 VAL 56 1.139 3.016 -7.382 472 HG23 VAL 56 2HG2 VAL 56 0.129 4.411 -7.002 473 H GLN 57 H GLN 57 3.045 7.773 -7.668 474 HA GLN 57 HA GLN 57 5.864 7.771 -6.965 475 HB2 GLN 57 2HB GLN 57 5.664 10.269 -7.444 476 HB3 GLN 57 1HB GLN 57 5.426 9.175 -8.791 477 HG2 GLN 57 2HG GLN 57 3.671 10.523 -9.204 478 HG3 GLN 57 1HG GLN 57 2.867 9.479 -8.037 479 HE21 GLN 57 1HE2 GLN 57 2.394 10.297 -5.989 480 HE22 GLN 57 2HE2 GLN 57 2.465 11.984 -5.645 481 H PHE 58 H PHE 58 6.721 8.373 -5.072 482 HA PHE 58 HA PHE 58 4.850 9.131 -2.918 483 HB2 PHE 58 2HB PHE 58 7.576 7.819 -2.736 484 HB3 PHE 58 1HB PHE 58 6.520 8.172 -1.372 485 HD1 PHE 58 HD1 PHE 58 4.379 6.944 -1.120 486 HD2 PHE 58 HD2 PHE 58 7.239 5.896 -4.099 487 HE1 PHE 58 HE1 PHE 58 3.296 4.753 -1.388 488 HE2 PHE 58 HE2 PHE 58 6.153 3.704 -4.374 489 HZ PHE 58 HZ PHE 58 4.179 3.130 -3.015 490 H ASN 59 H ASN 59 6.933 10.623 -4.922 491 HA ASN 59 HA ASN 59 8.511 12.216 -3.153 492 HB2 ASN 59 2HB ASN 59 9.170 13.426 -5.118 493 HB3 ASN 59 1HB ASN 59 9.062 11.723 -5.539 494 HD21 ASN 59 1HD2 ASN 59 6.031 11.972 -5.598 495 HD22 ASN 59 2HD2 ASN 59 5.711 12.729 -7.111 496 H THR 60 H THR 60 5.713 12.386 -2.374 497 HA THR 60 HA THR 60 5.301 15.277 -2.606 498 HB THR 60 HB THR 60 3.953 14.474 -4.437 499 HG1 THR 60 HG1 THR 60 2.584 15.924 -3.726 500 HG21 THR 60 3HG2 THR 60 2.138 12.848 -4.108 501 HG22 THR 60 1HG2 THR 60 2.650 12.619 -2.436 502 HG23 THR 60 2HG2 THR 60 3.715 12.137 -3.759 503 H ASP 61 H ASP 61 3.695 16.127 -1.140 504 HA ASP 61 HA ASP 61 3.844 14.970 1.472 505 HB2 ASP 61 2HB ASP 61 3.893 17.400 1.130 506 HB3 ASP 61 1HB ASP 61 2.286 17.353 0.418 507 H ARG 62 H ARG 62 1.530 14.920 -1.114 508 HA ARG 62 HA ARG 62 -0.769 14.238 0.458 509 HB2 ARG 62 2HB ARG 62 -0.311 13.918 -2.518 510 HB3 ARG 62 1HB ARG 62 -1.866 13.828 -1.701 511 HG2 ARG 62 2HG ARG 62 -1.636 16.178 -1.020 512 HG3 ARG 62 1HG ARG 62 -0.089 16.259 -1.865 513 HD2 ARG 62 2HD ARG 62 -1.812 17.212 -3.267 514 HD3 ARG 62 1HD ARG 62 -1.250 15.702 -3.980 515 HE ARG 62 HE ARG 62 -3.649 15.612 -2.319 516 HH11 ARG 62 1HH1 ARG 62 -2.270 15.570 -5.490 517 HH12 ARG 62 2HH1 ARG 62 -3.701 14.926 -6.209 518 HH21 ARG 62 1HH2 ARG 62 -5.479 14.821 -3.275 519 HH22 ARG 62 2HH2 ARG 62 -5.494 14.493 -4.973 520 H ILE 63 H ILE 63 1.889 12.389 -0.657 521 HA ILE 63 HA ILE 63 0.425 9.887 -0.079 522 HB ILE 63 HB ILE 63 2.468 10.259 -2.288 523 HG12 ILE 63 2HG1 ILE 63 0.233 11.153 -2.855 524 HG13 ILE 63 1HG1 ILE 63 0.638 9.746 -3.830 525 HG21 ILE 63 1HG2 ILE 63 1.996 7.901 -2.852 526 HG22 ILE 63 2HG2 ILE 63 1.002 7.769 -1.400 527 HG23 ILE 63 3HG2 ILE 63 2.732 8.082 -1.260 528 HD11 ILE 63 3HD1 ILE 63 -1.684 9.713 -3.118 529 HD12 ILE 63 1HD1 ILE 63 -1.178 9.760 -1.430 530 HD13 ILE 63 2HD1 ILE 63 -0.790 8.358 -2.428 531 H SER 64 H SER 64 1.364 8.663 1.452 532 HA SER 64 HA SER 64 4.283 8.803 1.846 533 HB2 SER 64 2HB SER 64 2.249 9.075 4.084 534 HB3 SER 64 1HB SER 64 3.990 8.927 4.306 535 HG SER 64 HG SER 64 3.710 10.904 2.634 536 H LEU 65 H LEU 65 5.224 6.915 2.750 537 HA LEU 65 HA LEU 65 3.475 4.614 3.283 538 HB2 LEU 65 2HB LEU 65 3.957 4.451 0.905 539 HB3 LEU 65 1HB LEU 65 5.673 4.650 1.203 540 HG LEU 65 HG LEU 65 5.646 2.473 2.450 541 HD11 LEU 65 1HD1 LEU 65 3.271 2.413 3.019 542 HD12 LEU 65 2HD1 LEU 65 3.762 0.961 2.148 543 HD13 LEU 65 3HD1 LEU 65 2.861 2.228 1.314 544 HD21 LEU 65 3HD2 LEU 65 5.565 1.073 0.437 545 HD22 LEU 65 1HD2 LEU 65 6.417 2.587 0.143 546 HD23 LEU 65 2HD2 LEU 65 4.765 2.379 -0.439 547 H TYR 66 H TYR 66 4.197 3.431 4.999 548 HA TYR 66 HA TYR 66 7.078 3.295 5.512 549 HB2 TYR 66 2HB TYR 66 6.982 3.984 7.772 550 HB3 TYR 66 1HB TYR 66 6.058 5.186 6.881 551 HD1 TYR 66 HD2 TYR 66 3.563 5.201 7.048 552 HD2 TYR 66 HD1 TYR 66 5.957 2.623 9.450 553 HE1 TYR 66 HE2 TYR 66 1.662 4.858 8.571 554 HE2 TYR 66 HE1 TYR 66 4.064 2.271 10.972 555 HH TYR 66 HH TYR 66 0.912 3.079 10.210 556 H GLN 67 H GLN 67 7.733 1.548 6.893 557 HA GLN 67 HA GLN 67 5.667 -0.477 7.469 558 HB2 GLN 67 2HB GLN 67 7.238 -2.264 6.859 559 HB3 GLN 67 1HB GLN 67 6.905 -1.216 5.490 560 HG2 GLN 67 2HG GLN 67 9.044 -0.103 5.782 561 HG3 GLN 67 1HG GLN 67 9.374 -1.073 7.217 562 HE21 GLN 67 1HE2 GLN 67 9.187 -1.074 3.745 563 HE22 GLN 67 2HE2 GLN 67 9.956 -2.600 3.504 564 H ASP 68 H ASP 68 6.151 -1.884 9.274 565 HA ASP 68 HA ASP 68 8.003 -0.636 11.213 566 HB2 ASP 68 2HB ASP 68 5.494 -0.534 11.654 567 HB3 ASP 68 1HB ASP 68 5.545 -2.279 11.865 568 H ASN 69 H ASN 69 9.010 -2.072 12.795 569 HA ASN 69 HA ASN 69 10.204 -4.369 11.628 570 HB2 ASN 69 2HB ASN 69 10.183 -3.408 14.500 571 HB3 ASN 69 1HB ASN 69 11.212 -4.700 13.888 572 HD21 ASN 69 1HD2 ASN 69 12.926 -4.189 12.547 573 HD22 ASN 69 2HD2 ASN 69 13.513 -2.577 12.373 574 H THR 70 H THR 70 7.257 -3.966 13.309 575 HA THR 70 HA THR 70 6.981 -6.729 14.155 576 HB THR 70 HB THR 70 5.868 -4.860 15.385 577 HG1 THR 70 HG1 THR 70 3.969 -6.006 15.740 578 HG21 THR 70 3HG2 THR 70 4.069 -4.734 12.957 579 HG22 THR 70 1HG2 THR 70 5.223 -3.495 13.450 580 HG23 THR 70 2HG2 THR 70 3.833 -3.860 14.471 581 H GLY 71 H GLY 71 7.038 -5.412 11.179 582 HA2 GLY 71 2HA GLY 71 6.510 -6.429 9.152 583 HA3 GLY 71 1HA GLY 71 5.516 -7.590 10.013 584 H ARG 72 H ARG 72 4.954 -4.243 10.665 585 HA ARG 72 HA ARG 72 2.339 -4.438 9.353 586 HB2 ARG 72 2HB ARG 72 2.467 -3.756 11.737 587 HB3 ARG 72 1HB ARG 72 3.396 -2.340 11.268 588 HG2 ARG 72 2HG ARG 72 1.464 -1.551 9.935 589 HG3 ARG 72 1HG ARG 72 0.540 -2.946 10.497 590 HD2 ARG 72 2HD ARG 72 0.844 -2.177 12.826 591 HD3 ARG 72 1HD ARG 72 1.706 -0.759 12.229 592 HE ARG 72 HE ARG 72 -0.972 -1.115 11.178 593 HH11 ARG 72 1HH1 ARG 72 1.002 0.397 13.570 594 HH12 ARG 72 2HH1 ARG 72 -0.203 1.568 13.972 595 HH21 ARG 72 1HH2 ARG 72 -2.493 0.402 11.693 596 HH22 ARG 72 2HH2 ARG 72 -2.159 1.571 12.923 597 H VAL 73 H VAL 73 2.307 -3.779 7.285 598 HA VAL 73 HA VAL 73 3.885 -1.439 6.445 599 HB VAL 73 HB VAL 73 2.300 -3.432 4.796 600 HG11 VAL 73 1HG1 VAL 73 4.081 -1.155 3.916 601 HG12 VAL 73 2HG1 VAL 73 2.336 -1.277 3.686 602 HG13 VAL 73 3HG1 VAL 73 3.417 -2.390 2.847 603 HG21 VAL 73 3HG2 VAL 73 4.493 -4.252 4.056 604 HG22 VAL 73 1HG2 VAL 73 4.302 -4.416 5.802 605 HG23 VAL 73 2HG2 VAL 73 5.289 -3.111 5.142 606 H THR 74 H THR 74 2.919 0.510 5.976 607 HA THR 74 HA THR 74 -0.021 0.594 5.762 608 HB THR 74 HB THR 74 1.567 2.442 7.560 609 HG1 THR 74 HG1 THR 74 0.451 0.004 8.006 610 HG21 THR 74 3HG2 THR 74 -0.372 3.550 6.566 611 HG22 THR 74 1HG2 THR 74 -0.648 3.252 8.283 612 HG23 THR 74 2HG2 THR 74 -1.414 2.221 7.074 613 H LEU 75 H LEU 75 -0.590 1.630 3.991 614 HA LEU 75 HA LEU 75 1.096 3.752 2.865 615 HB2 LEU 75 2HB LEU 75 0.324 1.961 1.354 616 HB3 LEU 75 1HB LEU 75 -1.342 2.354 1.738 617 HG LEU 75 HG LEU 75 -0.990 4.616 0.733 618 HD11 LEU 75 1HD1 LEU 75 0.960 4.937 -0.751 619 HD12 LEU 75 2HD1 LEU 75 1.666 3.455 -0.107 620 HD13 LEU 75 3HD1 LEU 75 1.401 4.839 0.955 621 HD21 LEU 75 3HD2 LEU 75 -2.049 2.838 -0.554 622 HD22 LEU 75 1HD2 LEU 75 -0.466 2.275 -1.098 623 HD23 LEU 75 2HD2 LEU 75 -1.056 3.860 -1.593 624 H LEU 76 H LEU 76 0.553 5.858 3.073 625 HA LEU 76 HA LEU 76 -2.100 6.532 4.191 626 HB2 LEU 76 2HB LEU 76 0.511 8.049 4.442 627 HB3 LEU 76 1HB LEU 76 -1.020 8.520 5.159 628 HG LEU 76 HG LEU 76 0.548 6.028 5.867 629 HD11 LEU 76 1HD1 LEU 76 1.665 8.046 6.640 630 HD12 LEU 76 2HD1 LEU 76 0.969 7.166 8.000 631 HD13 LEU 76 3HD1 LEU 76 0.170 8.613 7.383 632 HD21 LEU 76 3HD2 LEU 76 -1.068 5.810 7.704 633 HD22 LEU 76 1HD2 LEU 76 -1.852 5.698 6.131 634 HD23 LEU 76 2HD2 LEU 76 -1.972 7.186 7.070 635 H ILE 77 H ILE 77 -3.419 7.449 2.758 636 HA ILE 77 HA ILE 77 -2.268 9.161 0.637 637 HB ILE 77 HB ILE 77 -4.938 7.732 0.643 638 HG12 ILE 77 2HG1 ILE 77 -2.395 7.129 -0.897 639 HG13 ILE 77 1HG1 ILE 77 -3.015 6.193 0.456 640 HG21 ILE 77 1HG2 ILE 77 -5.047 9.785 -0.643 641 HG22 ILE 77 2HG2 ILE 77 -5.047 8.399 -1.734 642 HG23 ILE 77 3HG2 ILE 77 -3.576 9.348 -1.514 643 HD11 ILE 77 3HD1 ILE 77 -3.489 5.117 -1.661 644 HD12 ILE 77 1HD1 ILE 77 -4.371 6.542 -2.206 645 HD13 ILE 77 2HD1 ILE 77 -4.978 5.594 -0.849 646 H LYS 78 H LYS 78 -2.643 11.268 0.769 647 HA LYS 78 HA LYS 78 -4.636 12.268 2.710 648 HB2 LYS 78 2HB LYS 78 -1.981 13.408 1.814 649 HB3 LYS 78 1HB LYS 78 -3.112 14.258 2.856 650 HG2 LYS 78 2HG LYS 78 -2.804 12.701 4.619 651 HG3 LYS 78 1HG LYS 78 -1.930 11.582 3.566 652 HD2 LYS 78 2HD LYS 78 -0.040 12.985 3.452 653 HD3 LYS 78 1HD LYS 78 -0.928 14.376 4.074 654 HE2 LYS 78 2HE LYS 78 -0.369 11.890 5.691 655 HE3 LYS 78 1HE LYS 78 0.669 13.315 5.697 656 HZ1 LYS 78 3HZ LYS 78 -1.200 14.628 6.491 657 HZ2 LYS 78 1HZ LYS 78 -0.880 13.345 7.545 658 HZ3 LYS 78 2HZ LYS 78 -2.192 13.263 6.487 659 H ASP 79 H ASP 79 -6.053 13.879 2.123 660 HA ASP 79 HA ASP 79 -7.138 15.475 0.907 661 HB2 ASP 79 2HB ASP 79 -4.878 16.520 1.360 662 HB3 ASP 79 1HB ASP 79 -4.386 16.013 -0.251 663 H VAL 80 H VAL 80 -7.231 12.891 -0.208 664 HA VAL 80 HA VAL 80 -6.445 12.876 -2.973 665 HB VAL 80 HB VAL 80 -6.501 10.858 -1.472 666 HG11 VAL 80 1HG1 VAL 80 -9.474 10.990 -1.950 667 HG12 VAL 80 2HG1 VAL 80 -8.663 11.269 -0.407 668 HG13 VAL 80 3HG1 VAL 80 -8.603 9.674 -1.159 669 HG21 VAL 80 3HG2 VAL 80 -8.053 10.643 -4.053 670 HG22 VAL 80 1HG2 VAL 80 -7.273 9.307 -3.204 671 HG23 VAL 80 2HG2 VAL 80 -6.297 10.610 -3.882 672 H ASN 81 H ASN 81 -7.694 13.070 -4.813 673 HA ASN 81 HA ASN 81 -10.563 13.676 -4.439 674 HB2 ASN 81 2HB ASN 81 -10.333 15.131 -6.523 675 HB3 ASN 81 1HB ASN 81 -9.608 15.748 -5.043 676 HD21 ASN 81 1HD2 ASN 81 -8.957 14.293 -8.140 677 HD22 ASN 81 2HD2 ASN 81 -7.297 14.749 -8.216 678 H LYS 82 H LYS 82 -11.613 13.628 -6.859 679 HA LYS 82 HA LYS 82 -12.105 10.952 -7.313 680 HB2 LYS 82 2HB LYS 82 -12.425 13.262 -9.239 681 HB3 LYS 82 1HB LYS 82 -13.124 11.666 -9.486 682 HG2 LYS 82 2HG LYS 82 -13.705 13.366 -7.070 683 HG3 LYS 82 1HG LYS 82 -14.674 13.408 -8.542 684 HD2 LYS 82 2HD LYS 82 -14.155 10.891 -6.954 685 HD3 LYS 82 1HD LYS 82 -15.557 11.933 -6.701 686 HE2 LYS 82 2HE LYS 82 -16.230 11.590 -9.027 687 HE3 LYS 82 1HE LYS 82 -14.834 10.547 -9.286 688 HZ1 LYS 82 3HZ LYS 82 -15.732 9.056 -7.563 689 HZ2 LYS 82 1HZ LYS 82 -16.770 9.217 -8.889 690 HZ3 LYS 82 2HZ LYS 82 -17.110 10.032 -7.451 691 H LYS 83 H LYS 83 -9.918 13.004 -9.232 692 HA LYS 83 HA LYS 83 -9.244 11.006 -11.121 693 HB2 LYS 83 2HB LYS 83 -7.909 13.607 -10.372 694 HB3 LYS 83 1HB LYS 83 -7.321 12.575 -11.670 695 HG2 LYS 83 2HG LYS 83 -10.069 13.817 -11.523 696 HG3 LYS 83 1HG LYS 83 -8.726 14.390 -12.517 697 HD2 LYS 83 2HD LYS 83 -8.725 12.300 -13.767 698 HD3 LYS 83 1HD LYS 83 -9.997 11.652 -12.731 699 HE2 LYS 83 2HE LYS 83 -11.518 13.413 -13.518 700 HE3 LYS 83 1HE LYS 83 -10.245 14.035 -14.568 701 HZ1 LYS 83 3HZ LYS 83 -11.811 12.597 -15.749 702 HZ2 LYS 83 1HZ LYS 83 -11.406 11.309 -14.732 703 HZ3 LYS 83 2HZ LYS 83 -10.245 11.961 -15.772 704 H ASP 84 H ASP 84 -8.282 11.222 -7.885 705 HA ASP 84 HA ASP 84 -5.699 9.928 -8.380 706 HB2 ASP 84 2HB ASP 84 -6.932 10.796 -5.755 707 HB3 ASP 84 1HB ASP 84 -5.284 10.214 -5.993 708 H ALA 85 H ALA 85 -8.841 8.910 -8.073 709 HA ALA 85 HA ALA 85 -8.349 6.629 -6.337 710 HB1 ALA 85 3HB ALA 85 -10.684 6.086 -6.688 711 HB2 ALA 85 1HB ALA 85 -10.799 7.285 -7.978 712 HB3 ALA 85 2HB ALA 85 -10.518 7.801 -6.315 713 H GLY 86 H GLY 86 -8.257 4.492 -6.925 714 HA2 GLY 86 2HA GLY 86 -8.827 3.393 -9.437 715 HA3 GLY 86 1HA GLY 86 -7.115 3.794 -9.424 716 H TRP 87 H TRP 87 -7.352 1.266 -9.775 717 HA TRP 87 HA TRP 87 -7.435 -0.219 -7.281 718 HB2 TRP 87 2HB TRP 87 -7.014 -0.932 -10.162 719 HB3 TRP 87 1HB TRP 87 -6.491 -2.067 -8.923 720 HD1 TRP 87 HD1 TRP 87 -9.684 -0.485 -10.363 721 HE1 TRP 87 HE1 TRP 87 -11.691 -1.926 -9.647 722 HE3 TRP 87 HE3 TRP 87 -7.288 -3.670 -7.168 723 HZ2 TRP 87 HZ2 TRP 87 -12.193 -4.129 -7.945 724 HZ3 TRP 87 HZ3 TRP 87 -8.598 -5.417 -6.035 725 HH2 TRP 87 HH2 TRP 87 -11.001 -5.640 -6.416 726 H TYR 88 H TYR 88 -5.777 -0.348 -5.922 727 HA TYR 88 HA TYR 88 -3.045 0.199 -6.827 728 HB2 TYR 88 2HB TYR 88 -4.275 -0.060 -4.071 729 HB3 TYR 88 1HB TYR 88 -2.543 0.106 -4.331 730 HD1 TYR 88 HD1 TYR 88 -5.810 1.811 -4.804 731 HD2 TYR 88 HD2 TYR 88 -1.571 2.228 -4.707 732 HE1 TYR 88 HE1 TYR 88 -6.052 4.260 -4.843 733 HE2 TYR 88 HE2 TYR 88 -1.806 4.672 -4.746 734 HH TYR 88 HH TYR 88 -4.762 6.251 -4.205 735 H THR 89 H THR 89 -1.311 -1.226 -6.404 736 HA THR 89 HA THR 89 -1.968 -3.956 -5.518 737 HB THR 89 HB THR 89 -0.416 -3.309 -8.043 738 HG1 THR 89 HG1 THR 89 -2.833 -3.358 -8.041 739 HG21 THR 89 3HG2 THR 89 -0.946 -5.991 -6.741 740 HG22 THR 89 1HG2 THR 89 0.622 -5.188 -6.860 741 HG23 THR 89 2HG2 THR 89 -0.197 -5.745 -8.318 742 H VAL 90 H VAL 90 -0.646 -4.521 -3.925 743 HA VAL 90 HA VAL 90 1.922 -3.127 -3.625 744 HB VAL 90 HB VAL 90 0.521 -2.940 -1.683 745 HG11 VAL 90 1HG1 VAL 90 0.404 -5.959 -1.611 746 HG12 VAL 90 2HG1 VAL 90 -0.923 -4.876 -2.031 747 HG13 VAL 90 3HG1 VAL 90 -0.263 -4.868 -0.396 748 HG21 VAL 90 3HG2 VAL 90 2.744 -4.921 -1.155 749 HG22 VAL 90 1HG2 VAL 90 1.975 -3.886 0.051 750 HG23 VAL 90 2HG2 VAL 90 2.912 -3.167 -1.259 751 H SER 91 H SER 91 3.710 -4.120 -4.241 752 HA SER 91 HA SER 91 3.855 -7.073 -4.113 753 HB2 SER 91 2HB SER 91 5.286 -5.166 -5.989 754 HB3 SER 91 1HB SER 91 5.609 -6.897 -5.890 755 HG SER 91 HG SER 91 3.431 -7.260 -6.492 756 H ALA 92 H ALA 92 5.010 -7.703 -2.403 757 HA ALA 92 HA ALA 92 7.294 -6.076 -1.500 758 HB1 ALA 92 3HB ALA 92 5.599 -6.635 0.187 759 HB2 ALA 92 1HB ALA 92 7.164 -7.346 0.577 760 HB3 ALA 92 2HB ALA 92 5.883 -8.352 -0.099 761 H VAL 93 H VAL 93 9.245 -6.680 -2.275 762 HA VAL 93 HA VAL 93 9.667 -9.538 -2.887 763 HB VAL 93 HB VAL 93 9.752 -8.179 -4.891 764 HG11 VAL 93 1HG1 VAL 93 11.984 -6.650 -3.557 765 HG12 VAL 93 2HG1 VAL 93 10.379 -6.035 -3.948 766 HG13 VAL 93 3HG1 VAL 93 11.491 -6.481 -5.241 767 HG21 VAL 93 3HG2 VAL 93 11.202 -10.139 -4.773 768 HG22 VAL 93 1HG2 VAL 93 12.497 -9.155 -4.087 769 HG23 VAL 93 2HG2 VAL 93 11.948 -8.865 -5.738 770 H ASN 94 H ASN 94 10.883 -10.554 -1.513 771 HA ASN 94 HA ASN 94 13.121 -9.186 -0.161 772 HB2 ASN 94 2HB ASN 94 11.606 -9.978 1.479 773 HB3 ASN 94 1HB ASN 94 11.342 -11.493 0.627 774 HD21 ASN 94 1HD2 ASN 94 13.561 -9.708 2.646 775 HD22 ASN 94 2HD2 ASN 94 14.459 -11.081 3.172 776 H GLU 95 H GLU 95 15.130 -10.380 0.065 777 HA GLU 95 HA GLU 95 16.082 -11.488 -2.293 778 HB2 GLU 95 2HB GLU 95 18.062 -12.183 -1.001 779 HB3 GLU 95 1HB GLU 95 17.565 -10.540 -0.621 780 HG2 GLU 95 2HG GLU 95 16.515 -11.326 1.445 781 HG3 GLU 95 1HG GLU 95 16.983 -12.981 1.056 782 H ALA 96 H ALA 96 14.765 -13.169 0.523 783 HA ALA 96 HA ALA 96 15.312 -15.808 -0.422 784 HB1 ALA 96 3HB ALA 96 13.852 -16.547 1.388 785 HB2 ALA 96 1HB ALA 96 13.304 -14.888 1.637 786 HB3 ALA 96 2HB ALA 96 14.985 -15.317 1.949 787 H GLY 97 H GLY 97 12.500 -13.647 -0.712 788 HA2 GLY 97 2HA GLY 97 11.435 -15.073 -2.950 789 HA3 GLY 97 1HA GLY 97 10.539 -15.461 -1.492 790 H VAL 98 H VAL 98 9.010 -14.414 -3.334 791 HA VAL 98 HA VAL 98 8.650 -11.574 -2.594 792 HB VAL 98 HB VAL 98 9.713 -11.618 -4.792 793 HG11 VAL 98 1HG1 VAL 98 8.584 -12.626 -6.739 794 HG12 VAL 98 2HG1 VAL 98 7.369 -13.319 -5.662 795 HG13 VAL 98 3HG1 VAL 98 9.052 -13.833 -5.540 796 HG21 VAL 98 3HG2 VAL 98 6.785 -10.864 -4.967 797 HG22 VAL 98 1HG2 VAL 98 8.059 -10.309 -6.056 798 HG23 VAL 98 2HG2 VAL 98 8.090 -9.849 -4.354 799 H THR 99 H THR 99 6.511 -10.810 -2.528 800 HA THR 99 HA THR 99 4.330 -12.639 -3.236 801 HB THR 99 HB THR 99 4.692 -13.121 -0.878 802 HG1 THR 99 HG1 THR 99 2.587 -12.948 -0.361 803 HG21 THR 99 3HG2 THR 99 5.786 -11.047 -0.198 804 HG22 THR 99 1HG2 THR 99 4.397 -11.381 0.836 805 HG23 THR 99 2HG2 THR 99 4.278 -10.160 -0.430 806 H THR 100 H THR 100 2.367 -11.625 -3.746 807 HA THR 100 HA THR 100 2.352 -8.669 -3.749 808 HB THR 100 HB THR 100 1.696 -10.429 -6.130 809 HG1 THR 100 HG1 THR 100 3.921 -10.090 -5.878 810 HG21 THR 100 3HG2 THR 100 0.151 -8.528 -6.022 811 HG22 THR 100 1HG2 THR 100 1.291 -8.331 -7.352 812 HG23 THR 100 2HG2 THR 100 1.514 -7.418 -5.859 813 H CYS 101 H CYS 101 0.325 -7.683 -3.596 814 HA CYS 101 HA CYS 101 -2.081 -9.373 -3.550 815 HB2 CYS 101 2HB CYS 101 -1.304 -9.289 -1.217 816 HB3 CYS 101 1HB CYS 101 -1.308 -7.528 -1.274 817 HG CYS 101 HG CYS 101 -4.141 -9.395 -1.728 818 H ASN 102 H ASN 102 -4.101 -8.158 -3.699 819 HA ASN 102 HA ASN 102 -3.716 -5.603 -5.125 820 HB2 ASN 102 2HB ASN 102 -5.987 -7.598 -5.224 821 HB3 ASN 102 1HB ASN 102 -6.000 -6.046 -6.058 822 HD21 ASN 102 1HD2 ASN 102 -4.601 -5.730 -7.803 823 HD22 ASN 102 2HD2 ASN 102 -3.859 -7.056 -8.622 824 H THR 103 H THR 103 -4.948 -3.798 -4.699 825 HA THR 103 HA THR 103 -6.863 -3.810 -2.473 826 HB THR 103 HB THR 103 -4.570 -1.829 -2.608 827 HG1 THR 103 HG1 THR 103 -4.879 -4.269 -1.259 828 HG21 THR 103 3HG2 THR 103 -6.589 -0.910 -1.575 829 HG22 THR 103 1HG2 THR 103 -5.336 -1.172 -0.360 830 HG23 THR 103 2HG2 THR 103 -6.684 -2.302 -0.493 831 H ARG 104 H ARG 104 -8.409 -2.063 -2.597 832 HA ARG 104 HA ARG 104 -8.223 -0.445 -5.068 833 HB2 ARG 104 2HB ARG 104 -9.881 -2.291 -5.277 834 HB3 ARG 104 1HB ARG 104 -10.761 -1.621 -3.910 835 HG2 ARG 104 2HG ARG 104 -11.090 0.472 -5.211 836 HG3 ARG 104 1HG ARG 104 -10.321 -0.311 -6.594 837 HD2 ARG 104 2HD ARG 104 -12.082 -2.107 -6.414 838 HD3 ARG 104 1HD ARG 104 -12.894 -1.088 -5.225 839 HE ARG 104 HE ARG 104 -12.325 0.132 -7.799 840 HH11 ARG 104 1HH1 ARG 104 -14.630 -1.428 -5.778 841 HH12 ARG 104 2HH1 ARG 104 -15.976 -0.873 -6.698 842 HH21 ARG 104 1HH2 ARG 104 -14.062 0.816 -8.983 843 HH22 ARG 104 2HH2 ARG 104 -15.662 0.373 -8.499 844 H LEU 105 H LEU 105 -8.900 1.685 -4.977 845 HA LEU 105 HA LEU 105 -9.985 2.660 -2.406 846 HB2 LEU 105 2HB LEU 105 -7.640 3.320 -2.575 847 HB3 LEU 105 1HB LEU 105 -7.930 4.022 -4.157 848 HG LEU 105 HG LEU 105 -9.464 5.682 -3.102 849 HD11 LEU 105 1HD1 LEU 105 -9.398 5.980 -0.665 850 HD12 LEU 105 2HD1 LEU 105 -8.472 4.487 -0.514 851 HD13 LEU 105 3HD1 LEU 105 -10.125 4.441 -1.128 852 HD21 LEU 105 3HD2 LEU 105 -6.657 5.641 -1.988 853 HD22 LEU 105 1HD2 LEU 105 -7.709 7.053 -2.092 854 HD23 LEU 105 2HD2 LEU 105 -7.142 6.267 -3.564 855 H ASP 106 H ASP 106 -11.880 3.660 -2.613 856 HA ASP 106 HA ASP 106 -12.665 4.736 -5.247 857 HB2 ASP 106 2HB ASP 106 -14.304 3.652 -2.949 858 HB3 ASP 106 1HB ASP 106 -15.021 4.560 -4.276 859 H VAL 107 H VAL 107 -13.372 6.821 -5.445 860 HA VAL 107 HA VAL 107 -13.584 8.473 -3.014 861 HB VAL 107 HB VAL 107 -12.155 9.323 -5.553 862 HG11 VAL 107 1HG1 VAL 107 -12.622 10.837 -2.975 863 HG12 VAL 107 2HG1 VAL 107 -13.384 11.173 -4.531 864 HG13 VAL 107 3HG1 VAL 107 -11.646 11.394 -4.336 865 HG21 VAL 107 3HG2 VAL 107 -11.064 8.782 -2.783 866 HG22 VAL 107 1HG2 VAL 107 -10.142 9.436 -4.139 867 HG23 VAL 107 2HG2 VAL 107 -10.790 7.798 -4.220 868 H THR 108 H THR 108 -15.256 9.868 -2.983 869 HA THR 108 HA THR 108 -16.944 10.091 -5.397 870 HB THR 108 HB THR 108 -17.754 10.300 -2.480 871 HG1 THR 108 HG1 THR 108 -18.952 8.383 -3.021 872 HG21 THR 108 3HG2 THR 108 -20.066 10.446 -3.322 873 HG22 THR 108 1HG2 THR 108 -19.452 10.526 -4.975 874 HG23 THR 108 2HG2 THR 108 -19.100 11.827 -3.838 875 H ALA 109 H ALA 109 -17.840 12.136 -5.927 876 HA ALA 109 HA ALA 109 -16.046 14.305 -5.430 877 HB1 ALA 109 3HB ALA 109 -17.479 15.573 -6.953 878 HB2 ALA 109 1HB ALA 109 -18.678 14.280 -6.909 879 HB3 ALA 109 2HB ALA 109 -17.090 13.986 -7.618 880 H ARG 110 H ARG 110 -16.312 16.101 -4.211 881 HA ARG 110 HA ARG 110 -18.042 15.814 -1.940 882 HB2 ARG 110 2HB ARG 110 -15.626 16.909 -2.176 883 HB3 ARG 110 1HB ARG 110 -16.569 18.368 -2.440 884 HG2 ARG 110 2HG ARG 110 -17.771 17.805 -0.268 885 HG3 ARG 110 1HG ARG 110 -16.501 16.615 0.004 886 HD2 ARG 110 2HD ARG 110 -16.134 19.586 -0.357 887 HD3 ARG 110 1HD ARG 110 -15.996 18.695 1.154 888 HE ARG 110 HE ARG 110 -14.112 17.490 -0.170 889 HH11 ARG 110 1HH1 ARG 110 -14.917 20.825 -0.317 890 HH12 ARG 110 2HH1 ARG 110 -13.296 21.327 -0.638 891 HH21 ARG 110 1HH2 ARG 110 -12.036 18.120 -0.561 892 HH22 ARG 110 2HH2 ARG 110 -11.665 19.799 -0.768 893 HA PRO 111 HA PRO 111 -21.467 18.101 -3.641 894 HB2 PRO 111 2HB PRO 111 -23.011 18.263 -1.431 895 HB3 PRO 111 1HB PRO 111 -22.755 16.744 -2.296 896 HG2 PRO 111 2HG PRO 111 -21.456 17.737 0.214 897 HG3 PRO 111 1HG PRO 111 -22.046 16.110 -0.175 898 HD2 PRO 111 2HD PRO 111 -19.409 16.857 -0.322 899 HD3 PRO 111 1HD PRO 111 -20.116 15.551 -1.290 900 H ASN 112 H ASN 112 -19.638 19.325 -0.914 901 HA ASN 112 HA ASN 112 -20.348 22.069 -1.683 902 HB2 ASN 112 2HB ASN 112 -21.772 21.453 0.257 903 HB3 ASN 112 1HB ASN 112 -20.322 21.086 1.188 904 HD21 ASN 112 1HD2 ASN 112 -20.798 22.639 2.733 905 HD22 ASN 112 2HD2 ASN 112 -20.634 24.329 2.420 906 H GLN 113 H GLN 113 -18.721 23.628 -1.272 907 HA GLN 113 HA GLN 113 -16.042 22.492 -1.114 908 HB2 GLN 113 2HB GLN 113 -16.963 25.330 -1.645 909 HB3 GLN 113 1HB GLN 113 -15.291 24.789 -1.708 910 HG2 GLN 113 2HG GLN 113 -15.886 23.237 -3.528 911 HG3 GLN 113 1HG GLN 113 -17.535 23.858 -3.490 912 HE21 GLN 113 1HE2 GLN 113 -17.926 25.970 -4.219 913 HE22 GLN 113 2HE2 GLN 113 -16.792 26.813 -5.211 914 H THR 114 H THR 114 -14.354 23.538 0.221 915 HA THR 114 HA THR 114 -15.206 23.888 2.951 916 HB THR 114 HB THR 114 -12.783 24.238 3.436 917 HG1 THR 114 HG1 THR 114 -12.175 25.221 1.445 918 HG21 THR 114 3HG2 THR 114 -12.040 21.984 2.818 919 HG22 THR 114 1HG2 THR 114 -13.365 21.857 1.660 920 HG23 THR 114 2HG2 THR 114 -13.709 21.966 3.387 921 H LEU 115 H LEU 115 -16.227 25.762 3.430 922 HA LEU 115 HA LEU 115 -15.216 28.276 2.262 923 HB2 LEU 115 2HB LEU 115 -17.613 27.424 1.847 924 HB3 LEU 115 1HB LEU 115 -17.933 27.868 3.507 925 HG LEU 115 HG LEU 115 -18.697 29.555 1.839 926 HD11 LEU 115 1HD1 LEU 115 -17.871 31.523 2.992 927 HD12 LEU 115 2HD1 LEU 115 -16.544 30.590 3.682 928 HD13 LEU 115 3HD1 LEU 115 -18.207 30.234 4.148 929 HD21 LEU 115 3HD2 LEU 115 -16.899 29.256 0.209 930 HD22 LEU 115 1HD2 LEU 115 -15.751 29.976 1.339 931 HD23 LEU 115 2HD2 LEU 115 -17.072 30.946 0.684 932 HA PRO 116 HA PRO 116 -14.333 29.199 6.646 933 HB2 PRO 116 2HB PRO 116 -11.853 30.360 5.994 934 HB3 PRO 116 1HB PRO 116 -12.115 28.715 6.571 935 HG2 PRO 116 2HG PRO 116 -11.183 29.473 4.012 936 HG3 PRO 116 1HG PRO 116 -11.684 27.852 4.519 937 HD2 PRO 116 2HD PRO 116 -13.211 29.924 3.009 938 HD3 PRO 116 1HD PRO 116 -13.281 28.152 2.887 Start of MODEL 19 1 H1 MET 1 1H MET 1 35.139 -5.377 3.982 2 H2 MET 1 2H MET 1 33.543 -5.411 3.430 3 H3 MET 1 3H MET 1 34.154 -4.017 4.171 4 HA MET 1 HA MET 1 34.025 -3.727 1.791 5 HB2 MET 1 2HB MET 1 36.192 -3.168 3.442 6 HB3 MET 1 1HB MET 1 36.948 -3.921 2.046 7 HG2 MET 1 2HG MET 1 35.118 -1.524 1.980 8 HG3 MET 1 1HG MET 1 36.876 -1.494 1.841 9 HE1 MET 1 3HE MET 1 35.620 -0.570 -1.780 10 HE2 MET 1 1HE MET 1 36.638 -0.064 -0.431 11 HE3 MET 1 2HE MET 1 34.884 -0.118 -0.240 12 H GLY 2 H GLY 2 35.503 -4.236 -0.257 13 HA2 GLY 2 2HA GLY 2 34.859 -6.964 -0.890 14 HA3 GLY 2 1HA GLY 2 35.512 -5.763 -1.983 15 H HIS 3 H HIS 3 37.042 -6.848 1.033 16 HA HIS 3 HA HIS 3 39.003 -8.409 -0.536 17 HB2 HIS 3 2HB HIS 3 39.582 -6.642 1.858 18 HB3 HIS 3 1HB HIS 3 40.738 -7.761 1.145 19 HD1 HIS 3 HD1 HIS 3 41.080 -4.627 1.355 20 HD2 HIS 3 HD2 HIS 3 39.935 -6.739 -2.033 21 HE1 HIS 3 HE1 HIS 3 41.714 -3.171 -0.586 22 HE2 HIS 3 HE2 HIS 3 40.808 -4.371 -2.600 23 H HIS 4 H HIS 4 39.558 -10.399 0.302 24 HA HIS 4 HA HIS 4 39.229 -12.362 1.419 25 HB2 HIS 4 2HB HIS 4 38.885 -10.555 3.831 26 HB3 HIS 4 1HB HIS 4 39.250 -12.276 3.872 27 HD1 HIS 4 HD1 HIS 4 41.674 -12.988 3.196 28 HD2 HIS 4 HD2 HIS 4 41.055 -8.882 3.338 29 HE1 HIS 4 HE1 HIS 4 43.960 -11.959 3.139 30 HE2 HIS 4 HE2 HIS 4 43.544 -9.484 2.997 31 H HIS 5 H HIS 5 36.883 -10.813 0.369 32 HA HIS 5 HA HIS 5 34.664 -11.176 2.129 33 HB2 HIS 5 2HB HIS 5 34.610 -9.441 0.441 34 HB3 HIS 5 1HB HIS 5 34.806 -10.624 -0.844 35 HD1 HIS 5 HD1 HIS 5 32.251 -9.267 1.561 36 HD2 HIS 5 HD2 HIS 5 32.459 -11.916 -1.639 37 HE1 HIS 5 HE1 HIS 5 29.874 -9.781 0.954 38 HE2 HIS 5 HE2 HIS 5 30.018 -11.304 -1.043 39 H HIS 6 H HIS 6 33.930 -13.121 2.695 40 HA HIS 6 HA HIS 6 33.459 -15.136 0.587 41 HB2 HIS 6 2HB HIS 6 35.440 -15.760 1.973 42 HB3 HIS 6 1HB HIS 6 34.420 -15.732 3.407 43 HD1 HIS 6 HD1 HIS 6 32.752 -17.711 3.714 44 HD2 HIS 6 HD2 HIS 6 35.163 -18.008 0.340 45 HE1 HIS 6 HE1 HIS 6 32.481 -20.065 2.895 46 HE2 HIS 6 HE2 HIS 6 34.093 -20.269 0.979 47 H HIS 7 H HIS 7 31.644 -16.546 0.985 48 HA HIS 7 HA HIS 7 29.365 -15.328 2.034 49 HB2 HIS 7 2HB HIS 7 29.196 -17.106 0.396 50 HB3 HIS 7 1HB HIS 7 29.920 -18.258 1.513 51 HD1 HIS 7 HD1 HIS 7 26.781 -16.126 1.239 52 HD2 HIS 7 HD2 HIS 7 28.098 -19.664 2.972 53 HE1 HIS 7 HE1 HIS 7 24.743 -17.165 2.273 54 HE2 HIS 7 HE2 HIS 7 25.614 -19.173 3.510 55 H HIS 8 H HIS 8 28.514 -15.157 4.010 56 HA HIS 8 HA HIS 8 29.885 -16.460 6.255 57 HB2 HIS 8 2HB HIS 8 27.812 -14.247 6.287 58 HB3 HIS 8 1HB HIS 8 28.767 -14.805 7.659 59 HD1 HIS 8 HD1 HIS 8 31.322 -14.204 7.634 60 HD2 HIS 8 HD2 HIS 8 29.086 -12.420 4.623 61 HE1 HIS 8 HE1 HIS 8 32.783 -12.398 6.692 62 HE2 HIS 8 HE2 HIS 8 31.349 -11.227 4.995 63 H SER 9 H SER 9 28.173 -16.830 8.191 64 HA SER 9 HA SER 9 25.845 -18.285 7.137 65 HB2 SER 9 2HB SER 9 26.403 -20.274 8.482 66 HB3 SER 9 1HB SER 9 27.657 -19.934 7.294 67 HG SER 9 HG SER 9 28.486 -20.435 9.388 68 H HIS 10 H HIS 10 24.809 -19.428 9.298 69 HA HIS 10 HA HIS 10 23.643 -19.162 11.224 70 HB2 HIS 10 2HB HIS 10 25.628 -16.948 11.786 71 HB3 HIS 10 1HB HIS 10 24.419 -17.508 12.936 72 HD1 HIS 10 HD1 HIS 10 24.786 -19.848 13.993 73 HD2 HIS 10 HD2 HIS 10 27.858 -18.588 11.500 74 HE1 HIS 10 HE1 HIS 10 26.704 -21.396 14.457 75 HE2 HIS 10 HE2 HIS 10 28.590 -20.526 13.044 76 H GLU 11 H GLU 11 23.408 -17.196 8.703 77 HA GLU 11 HA GLU 11 21.651 -15.209 9.949 78 HB2 GLU 11 2HB GLU 11 22.644 -15.470 7.099 79 HB3 GLU 11 1HB GLU 11 21.521 -14.228 7.641 80 HG2 GLU 11 2HG GLU 11 23.267 -13.522 9.313 81 HG3 GLU 11 1HG GLU 11 24.383 -14.615 8.496 82 H HIS 12 H HIS 12 19.471 -15.077 9.614 83 HA HIS 12 HA HIS 12 18.207 -17.529 8.558 84 HB2 HIS 12 2HB HIS 12 17.092 -15.475 10.491 85 HB3 HIS 12 1HB HIS 12 16.312 -16.979 10.017 86 HD1 HIS 12 HD1 HIS 12 16.575 -18.771 11.681 87 HD2 HIS 12 HD2 HIS 12 19.771 -16.118 11.789 88 HE1 HIS 12 HE1 HIS 12 18.028 -19.544 13.576 89 HE2 HIS 12 HE2 HIS 12 20.038 -18.033 13.506 90 H LYS 13 H LYS 13 17.106 -17.366 6.669 91 HA LYS 13 HA LYS 13 15.967 -14.735 5.953 92 HB2 LYS 13 2HB LYS 13 16.989 -16.898 4.106 93 HB3 LYS 13 1HB LYS 13 16.181 -15.427 3.575 94 HG2 LYS 13 2HG LYS 13 18.000 -14.120 4.706 95 HG3 LYS 13 1HG LYS 13 18.840 -15.646 4.983 96 HD2 LYS 13 2HD LYS 13 18.066 -14.512 2.288 97 HD3 LYS 13 1HD LYS 13 19.686 -14.504 2.987 98 HE2 LYS 13 2HE LYS 13 19.717 -16.951 2.961 99 HE3 LYS 13 1HE LYS 13 18.079 -16.972 2.304 100 HZ1 LYS 13 3HZ LYS 13 19.695 -17.275 0.559 101 HZ2 LYS 13 1HZ LYS 13 20.476 -15.835 0.975 102 HZ3 LYS 13 2HZ LYS 13 18.909 -15.795 0.350 103 H ARG 14 H ARG 14 13.892 -14.578 5.273 104 HA ARG 14 HA ARG 14 12.274 -17.012 4.965 105 HB2 ARG 14 2HB ARG 14 11.871 -16.403 7.245 106 HB3 ARG 14 1HB ARG 14 11.700 -14.706 6.831 107 HG2 ARG 14 2HG ARG 14 9.534 -15.669 7.326 108 HG3 ARG 14 1HG ARG 14 9.620 -15.205 5.628 109 HD2 ARG 14 2HD ARG 14 10.168 -17.600 5.095 110 HD3 ARG 14 1HD ARG 14 9.833 -17.987 6.783 111 HE ARG 14 HE ARG 14 7.852 -16.921 4.876 112 HH11 ARG 14 1HH1 ARG 14 8.641 -18.789 7.661 113 HH12 ARG 14 2HH1 ARG 14 7.009 -19.311 7.902 114 HH21 ARG 14 1HH2 ARG 14 5.781 -17.607 5.176 115 HH22 ARG 14 2HH2 ARG 14 5.401 -18.644 6.507 116 H ALA 15 H ALA 15 10.939 -16.923 3.260 117 HA ALA 15 HA ALA 15 10.806 -14.659 1.543 118 HB1 ALA 15 3HB ALA 15 9.100 -17.155 1.549 119 HB2 ALA 15 1HB ALA 15 10.635 -16.958 0.703 120 HB3 ALA 15 2HB ALA 15 9.237 -15.994 0.227 121 HA PRO 16 HA PRO 16 7.627 -12.296 3.483 122 HB2 PRO 16 2HB PRO 16 6.613 -10.963 1.312 123 HB3 PRO 16 1HB PRO 16 8.151 -10.559 2.081 124 HG2 PRO 16 2HG PRO 16 7.638 -12.205 -0.375 125 HG3 PRO 16 1HG PRO 16 8.877 -10.964 -0.096 126 HD2 PRO 16 2HD PRO 16 9.448 -13.592 0.050 127 HD3 PRO 16 1HD PRO 16 10.234 -12.407 1.113 128 H MET 17 H MET 17 5.504 -12.433 4.014 129 HA MET 17 HA MET 17 3.608 -13.755 2.215 130 HB2 MET 17 2HB MET 17 4.310 -15.608 3.525 131 HB3 MET 17 1HB MET 17 4.321 -14.661 5.007 132 HG2 MET 17 2HG MET 17 2.450 -16.218 4.961 133 HG3 MET 17 1HG MET 17 1.889 -14.547 4.975 134 HE1 MET 17 3HE MET 17 -0.912 -16.201 2.866 135 HE2 MET 17 1HE MET 17 -0.525 -15.157 4.235 136 HE3 MET 17 2HE MET 17 -0.102 -16.868 4.283 137 H PHE 18 H PHE 18 1.717 -12.657 2.141 138 HA PHE 18 HA PHE 18 1.136 -10.520 3.981 139 HB2 PHE 18 2HB PHE 18 -0.466 -11.762 1.732 140 HB3 PHE 18 1HB PHE 18 -1.057 -10.421 2.704 141 HD1 PHE 18 HD1 PHE 18 -0.019 -8.212 2.533 142 HD2 PHE 18 HD2 PHE 18 1.212 -11.437 0.035 143 HE1 PHE 18 HE1 PHE 18 1.076 -6.616 1.013 144 HE2 PHE 18 HE2 PHE 18 2.317 -9.844 -1.479 145 HZ PHE 18 HZ PHE 18 2.247 -7.431 -0.994 146 H ILE 19 H ILE 19 0.608 -11.094 6.019 147 HA ILE 19 HA ILE 19 -0.891 -13.465 6.661 148 HB ILE 19 HB ILE 19 -0.350 -11.116 8.497 149 HG12 ILE 19 2HG1 ILE 19 1.429 -13.521 7.971 150 HG13 ILE 19 1HG1 ILE 19 1.750 -11.885 7.404 151 HG21 ILE 19 1HG2 ILE 19 -0.780 -14.055 9.064 152 HG22 ILE 19 2HG2 ILE 19 -1.962 -12.772 9.321 153 HG23 ILE 19 3HG2 ILE 19 -0.475 -12.802 10.269 154 HD11 ILE 19 3HD1 ILE 19 3.067 -12.426 9.375 155 HD12 ILE 19 1HD1 ILE 19 1.590 -12.744 10.288 156 HD13 ILE 19 2HD1 ILE 19 1.936 -11.112 9.709 157 H TYR 20 H TYR 20 -1.609 -10.051 6.284 158 HA TYR 20 HA TYR 20 -4.480 -10.651 6.217 159 HB2 TYR 20 2HB TYR 20 -3.343 -8.303 7.771 160 HB3 TYR 20 1HB TYR 20 -5.046 -8.702 7.582 161 HD1 TYR 20 HD1 TYR 20 -5.905 -10.856 8.631 162 HD2 TYR 20 HD2 TYR 20 -2.068 -9.239 9.516 163 HE1 TYR 20 HE1 TYR 20 -5.799 -12.230 10.665 164 HE2 TYR 20 HE2 TYR 20 -1.952 -10.612 11.556 165 HH TYR 20 HH TYR 20 -3.295 -11.837 13.043 166 H LYS 21 H LYS 21 -5.619 -9.370 4.734 167 HA LYS 21 HA LYS 21 -3.991 -7.577 3.069 168 HB2 LYS 21 2HB LYS 21 -5.696 -7.778 1.380 169 HB3 LYS 21 1HB LYS 21 -5.300 -9.389 1.959 170 HG2 LYS 21 2HG LYS 21 -7.318 -9.418 3.321 171 HG3 LYS 21 1HG LYS 21 -7.709 -7.778 2.800 172 HD2 LYS 21 2HD LYS 21 -7.870 -8.572 0.470 173 HD3 LYS 21 1HD LYS 21 -7.505 -10.211 1.012 174 HE2 LYS 21 2HE LYS 21 -9.904 -8.572 1.845 175 HE3 LYS 21 1HE LYS 21 -9.911 -9.881 0.663 176 HZ1 LYS 21 3HZ LYS 21 -10.674 -10.609 2.846 177 HZ2 LYS 21 1HZ LYS 21 -9.190 -10.178 3.529 178 HZ3 LYS 21 2HZ LYS 21 -9.269 -11.424 2.388 179 HA PRO 22 HA PRO 22 -6.012 -3.967 4.694 180 HB2 PRO 22 2HB PRO 22 -5.860 -2.487 2.243 181 HB3 PRO 22 1HB PRO 22 -4.808 -2.371 3.651 182 HG2 PRO 22 2HG PRO 22 -4.124 -3.390 1.137 183 HG3 PRO 22 1HG PRO 22 -3.177 -3.546 2.624 184 HD2 PRO 22 2HD PRO 22 -4.851 -5.535 1.234 185 HD3 PRO 22 1HD PRO 22 -3.515 -5.782 2.375 186 H GLN 23 H GLN 23 -7.994 -2.815 4.612 187 HA GLN 23 HA GLN 23 -10.032 -4.195 3.046 188 HB2 GLN 23 2HB GLN 23 -10.339 -2.172 5.280 189 HB3 GLN 23 1HB GLN 23 -11.648 -3.082 4.539 190 HG2 GLN 23 2HG GLN 23 -9.368 -4.219 6.157 191 HG3 GLN 23 1HG GLN 23 -11.042 -4.039 6.682 192 HE21 GLN 23 1HE2 GLN 23 -8.831 -5.879 4.742 193 HE22 GLN 23 2HE2 GLN 23 -9.911 -7.177 4.387 194 H SER 24 H SER 24 -11.100 -3.324 1.376 195 HA SER 24 HA SER 24 -10.265 -0.861 0.223 196 HB2 SER 24 2HB SER 24 -12.128 -1.301 -1.422 197 HB3 SER 24 1HB SER 24 -10.972 -2.619 -1.248 198 HG SER 24 HG SER 24 -13.043 -3.464 -1.212 199 H LYS 25 H LYS 25 -10.900 1.135 0.710 200 HA LYS 25 HA LYS 25 -13.573 1.556 1.903 201 HB2 LYS 25 2HB LYS 25 -11.095 3.121 2.667 202 HB3 LYS 25 1HB LYS 25 -12.675 3.178 3.436 203 HG2 LYS 25 2HG LYS 25 -10.763 0.843 3.467 204 HG3 LYS 25 1HG LYS 25 -11.081 1.949 4.802 205 HD2 LYS 25 2HD LYS 25 -13.168 0.170 3.527 206 HD3 LYS 25 1HD LYS 25 -12.257 -0.251 4.977 207 HE2 LYS 25 2HE LYS 25 -14.069 2.152 4.682 208 HE3 LYS 25 1HE LYS 25 -14.492 0.649 5.499 209 HZ1 LYS 25 3HZ LYS 25 -13.797 2.343 7.065 210 HZ2 LYS 25 1HZ LYS 25 -12.303 2.492 6.292 211 HZ3 LYS 25 2HZ LYS 25 -12.702 1.051 7.077 212 H LYS 26 H LYS 26 -14.367 3.842 1.659 213 HA LYS 26 HA LYS 26 -13.255 5.144 -0.749 214 HB2 LYS 26 2HB LYS 26 -15.510 5.822 -1.401 215 HB3 LYS 26 1HB LYS 26 -15.376 4.073 -1.305 216 HG2 LYS 26 2HG LYS 26 -16.558 4.047 0.803 217 HG3 LYS 26 1HG LYS 26 -16.582 5.812 0.843 218 HD2 LYS 26 2HD LYS 26 -18.738 4.909 0.105 219 HD3 LYS 26 1HD LYS 26 -17.970 5.854 -1.169 220 HE2 LYS 26 2HE LYS 26 -18.934 3.833 -2.098 221 HE3 LYS 26 1HE LYS 26 -17.177 3.765 -2.213 222 HZ1 LYS 26 3HZ LYS 26 -17.988 1.661 -1.472 223 HZ2 LYS 26 1HZ LYS 26 -18.885 2.369 -0.224 224 HZ3 LYS 26 2HZ LYS 26 -17.196 2.393 -0.172 225 H VAL 27 H VAL 27 -13.193 7.372 -0.828 226 HA VAL 27 HA VAL 27 -14.118 8.898 1.519 227 HB VAL 27 HB VAL 27 -12.018 10.233 1.500 228 HG11 VAL 27 1HG1 VAL 27 -10.602 8.564 2.627 229 HG12 VAL 27 2HG1 VAL 27 -11.634 7.277 2.004 230 HG13 VAL 27 3HG1 VAL 27 -12.285 8.456 3.143 231 HG21 VAL 27 3HG2 VAL 27 -11.022 8.092 -0.393 232 HG22 VAL 27 1HG2 VAL 27 -10.026 9.343 0.356 233 HG23 VAL 27 2HG2 VAL 27 -11.291 9.790 -0.789 234 H LEU 28 H LEU 28 -13.727 11.375 1.022 235 HA LEU 28 HA LEU 28 -14.836 11.926 -1.645 236 HB2 LEU 28 2HB LEU 28 -14.699 13.616 0.857 237 HB3 LEU 28 1HB LEU 28 -15.352 14.177 -0.670 238 HG LEU 28 HG LEU 28 -16.467 11.851 0.911 239 HD11 LEU 28 1HD1 LEU 28 -16.786 13.938 2.131 240 HD12 LEU 28 2HD1 LEU 28 -18.315 13.351 1.481 241 HD13 LEU 28 3HD1 LEU 28 -17.479 14.686 0.690 242 HD21 LEU 28 3HD2 LEU 28 -16.863 11.732 -1.510 243 HD22 LEU 28 1HD2 LEU 28 -17.593 13.336 -1.468 244 HD23 LEU 28 2HD2 LEU 28 -18.354 11.994 -0.610 245 H GLU 29 H GLU 29 -14.082 13.895 -2.785 246 HA GLU 29 HA GLU 29 -11.307 13.878 -3.207 247 HB2 GLU 29 2HB GLU 29 -13.314 16.013 -3.955 248 HB3 GLU 29 1HB GLU 29 -11.678 15.897 -4.590 249 HG2 GLU 29 2HG GLU 29 -12.281 13.642 -5.493 250 HG3 GLU 29 1HG GLU 29 -13.943 13.964 -5.010 251 H GLY 30 H GLY 30 -9.886 14.448 -1.655 252 HA2 GLY 30 2HA GLY 30 -8.712 16.441 -0.789 253 HA3 GLY 30 1HA GLY 30 -10.284 17.077 -0.331 254 H ASP 31 H ASP 31 -10.803 14.070 0.465 255 HA ASP 31 HA ASP 31 -10.021 14.424 3.230 256 HB2 ASP 31 2HB ASP 31 -11.696 12.385 1.775 257 HB3 ASP 31 1HB ASP 31 -11.224 12.148 3.457 258 H SER 32 H SER 32 -9.410 12.154 4.316 259 HA SER 32 HA SER 32 -7.049 11.104 2.883 260 HB2 SER 32 2HB SER 32 -5.881 11.009 5.092 261 HB3 SER 32 1HB SER 32 -6.251 12.651 4.563 262 HG SER 32 HG SER 32 -7.251 12.865 6.381 263 H VAL 33 H VAL 33 -6.437 8.968 3.315 264 HA VAL 33 HA VAL 33 -8.257 7.320 4.942 265 HB VAL 33 HB VAL 33 -9.005 7.218 2.564 266 HG11 VAL 33 1HG1 VAL 33 -6.875 7.561 1.449 267 HG12 VAL 33 2HG1 VAL 33 -7.599 6.045 0.909 268 HG13 VAL 33 3HG1 VAL 33 -6.272 6.023 2.072 269 HG21 VAL 33 3HG2 VAL 33 -9.083 4.759 2.392 270 HG22 VAL 33 1HG2 VAL 33 -9.437 5.320 4.027 271 HG23 VAL 33 2HG2 VAL 33 -7.853 4.642 3.651 272 H LYS 34 H LYS 34 -7.324 5.241 5.579 273 HA LYS 34 HA LYS 34 -4.409 5.016 5.193 274 HB2 LYS 34 2HB LYS 34 -4.286 4.107 7.547 275 HB3 LYS 34 1HB LYS 34 -4.604 5.828 7.408 276 HG2 LYS 34 2HG LYS 34 -6.858 5.578 8.040 277 HG3 LYS 34 1HG LYS 34 -6.822 3.833 7.784 278 HD2 LYS 34 2HD LYS 34 -6.777 4.601 10.198 279 HD3 LYS 34 1HD LYS 34 -5.509 3.472 9.723 280 HE2 LYS 34 2HE LYS 34 -4.623 5.254 11.135 281 HE3 LYS 34 1HE LYS 34 -3.927 5.328 9.519 282 HZ1 LYS 34 3HZ LYS 34 -5.431 7.124 8.984 283 HZ2 LYS 34 1HZ LYS 34 -4.532 7.514 10.361 284 HZ3 LYS 34 2HZ LYS 34 -6.148 7.033 10.510 285 H LEU 35 H LEU 35 -3.671 3.082 4.610 286 HA LEU 35 HA LEU 35 -5.397 0.700 4.916 287 HB2 LEU 35 2HB LEU 35 -3.671 1.406 2.529 288 HB3 LEU 35 1HB LEU 35 -4.555 -0.096 2.727 289 HG LEU 35 HG LEU 35 -5.821 2.644 2.480 290 HD11 LEU 35 1HD1 LEU 35 -6.536 1.914 0.265 291 HD12 LEU 35 2HD1 LEU 35 -5.652 0.401 0.464 292 HD13 LEU 35 3HD1 LEU 35 -4.775 1.929 0.389 293 HD21 LEU 35 3HD2 LEU 35 -7.177 1.143 3.815 294 HD22 LEU 35 1HD2 LEU 35 -7.059 -0.108 2.575 295 HD23 LEU 35 2HD2 LEU 35 -7.922 1.394 2.238 296 H GLU 36 H GLU 36 -4.381 -0.666 6.303 297 HA GLU 36 HA GLU 36 -1.468 -1.001 6.012 298 HB2 GLU 36 2HB GLU 36 -1.223 -1.219 8.430 299 HB3 GLU 36 1HB GLU 36 -1.895 0.346 8.000 300 HG2 GLU 36 2HG GLU 36 -4.126 -0.421 8.643 301 HG3 GLU 36 1HG GLU 36 -3.467 -2.006 9.048 302 H CYS 37 H CYS 37 -0.604 -3.023 6.357 303 HA CYS 37 HA CYS 37 -2.349 -5.265 7.046 304 HB2 CYS 37 2HB CYS 37 -1.616 -6.546 5.038 305 HB3 CYS 37 1HB CYS 37 -2.614 -5.155 4.645 306 HG CYS 37 HG CYS 37 -0.100 -5.873 3.045 307 H GLN 38 H GLN 38 -1.035 -7.364 7.110 308 HA GLN 38 HA GLN 38 1.596 -6.772 8.311 309 HB2 GLN 38 2HB GLN 38 -0.250 -9.124 8.789 310 HB3 GLN 38 1HB GLN 38 1.313 -8.893 9.557 311 HG2 GLN 38 2HG GLN 38 -1.071 -7.072 9.868 312 HG3 GLN 38 1HG GLN 38 -0.567 -8.309 11.015 313 HE21 GLN 38 1HE2 GLN 38 2.290 -7.712 10.604 314 HE22 GLN 38 2HE2 GLN 38 2.570 -6.236 11.449 315 H ILE 39 H ILE 39 3.362 -7.482 7.301 316 HA ILE 39 HA ILE 39 3.184 -9.870 5.564 317 HB ILE 39 HB ILE 39 5.049 -7.500 5.227 318 HG12 ILE 39 2HG1 ILE 39 2.707 -8.429 3.534 319 HG13 ILE 39 1HG1 ILE 39 2.761 -6.973 4.525 320 HG21 ILE 39 1HG2 ILE 39 4.774 -10.016 3.571 321 HG22 ILE 39 2HG2 ILE 39 6.145 -9.575 4.589 322 HG23 ILE 39 3HG2 ILE 39 5.771 -8.622 3.153 323 HD11 ILE 39 3HD1 ILE 39 3.077 -6.452 2.181 324 HD12 ILE 39 1HD1 ILE 39 4.472 -7.529 2.110 325 HD13 ILE 39 2HD1 ILE 39 4.530 -6.073 3.105 326 H SER 40 H SER 40 4.483 -11.545 6.150 327 HA SER 40 HA SER 40 6.556 -11.039 8.189 328 HB2 SER 40 2HB SER 40 4.858 -12.754 8.744 329 HB3 SER 40 1HB SER 40 5.334 -13.678 7.320 330 HG SER 40 HG SER 40 6.704 -14.574 8.637 331 H ALA 41 H ALA 41 8.363 -10.440 7.089 332 HA ALA 41 HA ALA 41 9.608 -12.504 5.385 333 HB1 ALA 41 3HB ALA 41 8.816 -10.718 3.925 334 HB2 ALA 41 1HB ALA 41 10.581 -10.762 3.966 335 HB3 ALA 41 2HB ALA 41 9.704 -9.534 4.881 336 H ILE 42 H ILE 42 11.899 -12.668 5.564 337 HA ILE 42 HA ILE 42 13.235 -10.882 7.481 338 HB ILE 42 HB ILE 42 13.419 -13.905 7.638 339 HG12 ILE 42 2HG1 ILE 42 12.239 -11.897 9.588 340 HG13 ILE 42 1HG1 ILE 42 11.324 -13.039 8.609 341 HG21 ILE 42 1HG2 ILE 42 14.874 -13.520 9.576 342 HG22 ILE 42 2HG2 ILE 42 14.789 -11.779 9.292 343 HG23 ILE 42 3HG2 ILE 42 15.559 -12.831 8.102 344 HD11 ILE 42 3HD1 ILE 42 12.390 -14.897 9.804 345 HD12 ILE 42 1HD1 ILE 42 11.503 -13.822 10.886 346 HD13 ILE 42 2HD1 ILE 42 13.264 -13.737 10.806 347 HA PRO 43 HA PRO 43 14.509 -9.480 7.292 348 HB2 PRO 43 2HB PRO 43 15.822 -7.627 5.848 349 HB3 PRO 43 1HB PRO 43 16.687 -8.769 6.884 350 HG2 PRO 43 2HG PRO 43 16.245 -8.879 3.916 351 HG3 PRO 43 1HG PRO 43 17.739 -9.160 4.833 352 HD2 PRO 43 2HD PRO 43 16.144 -11.182 3.929 353 HD3 PRO 43 1HD PRO 43 17.144 -11.311 5.390 354 HA PRO 44 HA PRO 44 11.034 -7.505 5.290 355 HB2 PRO 44 2HB PRO 44 11.818 -4.804 5.178 356 HB3 PRO 44 1HB PRO 44 10.970 -5.588 6.514 357 HG2 PRO 44 2HG PRO 44 13.890 -5.041 6.181 358 HG3 PRO 44 1HG PRO 44 12.887 -4.947 7.643 359 HD2 PRO 44 2HD PRO 44 14.532 -7.008 7.257 360 HD3 PRO 44 1HD PRO 44 12.917 -7.269 7.952 361 HA PRO 45 HA PRO 45 12.365 -7.285 1.035 362 HB2 PRO 45 2HB PRO 45 9.988 -7.552 -0.136 363 HB3 PRO 45 1HB PRO 45 10.651 -8.855 0.859 364 HG2 PRO 45 2HG PRO 45 8.530 -6.855 1.517 365 HG3 PRO 45 1HG PRO 45 8.634 -8.566 1.965 366 HD2 PRO 45 2HD PRO 45 9.359 -6.382 3.583 367 HD3 PRO 45 1HD PRO 45 9.785 -8.078 3.869 368 H LYS 46 H LYS 46 11.896 -6.032 -1.020 369 HA LYS 46 HA LYS 46 11.520 -3.225 -0.420 370 HB2 LYS 46 2HB LYS 46 13.226 -3.977 -2.057 371 HB3 LYS 46 1HB LYS 46 11.943 -4.568 -3.103 372 HG2 LYS 46 2HG LYS 46 12.757 -2.419 -3.880 373 HG3 LYS 46 1HG LYS 46 11.081 -2.283 -3.341 374 HD2 LYS 46 2HD LYS 46 11.883 -1.387 -1.174 375 HD3 LYS 46 1HD LYS 46 13.539 -1.462 -1.777 376 HE2 LYS 46 2HE LYS 46 12.963 0.122 -3.556 377 HE3 LYS 46 1HE LYS 46 11.300 0.180 -2.972 378 HZ1 LYS 46 3HZ LYS 46 12.561 2.065 -2.174 379 HZ2 LYS 46 1HZ LYS 46 13.704 1.043 -1.458 380 HZ3 LYS 46 2HZ LYS 46 12.120 1.075 -0.875 381 H LEU 47 H LEU 47 9.645 -2.164 -0.498 382 HA LEU 47 HA LEU 47 7.265 -3.584 -1.419 383 HB2 LEU 47 2HB LEU 47 7.487 -0.984 0.107 384 HB3 LEU 47 1HB LEU 47 6.030 -1.928 -0.135 385 HG LEU 47 HG LEU 47 8.439 -2.825 1.467 386 HD11 LEU 47 1HD1 LEU 47 7.009 -2.521 3.425 387 HD12 LEU 47 2HD1 LEU 47 5.731 -1.871 2.400 388 HD13 LEU 47 3HD1 LEU 47 7.256 -1.001 2.568 389 HD21 LEU 47 3HD2 LEU 47 7.004 -4.672 2.191 390 HD22 LEU 47 1HD2 LEU 47 7.252 -4.700 0.445 391 HD23 LEU 47 2HD2 LEU 47 5.728 -4.111 1.109 392 H PHE 48 H PHE 48 6.334 -3.155 -3.316 393 HA PHE 48 HA PHE 48 6.659 -0.473 -4.527 394 HB2 PHE 48 2HB PHE 48 6.191 -3.139 -5.898 395 HB3 PHE 48 1HB PHE 48 6.258 -1.582 -6.716 396 HD1 PHE 48 HD1 PHE 48 8.409 -0.321 -6.793 397 HD2 PHE 48 HD2 PHE 48 8.176 -4.310 -5.308 398 HE1 PHE 48 HE1 PHE 48 10.840 -0.570 -7.073 399 HE2 PHE 48 HE2 PHE 48 10.608 -4.555 -5.583 400 HZ PHE 48 HZ PHE 48 11.941 -2.683 -6.469 401 H TRP 49 H TRP 49 4.830 0.697 -4.360 402 HA TRP 49 HA TRP 49 2.235 -0.687 -4.469 403 HB2 TRP 49 2HB TRP 49 3.039 2.030 -3.434 404 HB3 TRP 49 1HB TRP 49 1.356 1.631 -3.759 405 HD1 TRP 49 HD1 TRP 49 4.242 0.682 -1.394 406 HE1 TRP 49 HE1 TRP 49 3.237 -0.440 0.692 407 HE3 TRP 49 HE3 TRP 49 -0.637 0.367 -2.903 408 HZ2 TRP 49 HZ2 TRP 49 0.709 -1.338 1.587 409 HZ3 TRP 49 HZ3 TRP 49 -2.283 -0.637 -1.371 410 HH2 TRP 49 HH2 TRP 49 -1.623 -1.469 0.826 411 H LYS 50 H LYS 50 1.112 -0.661 -6.297 412 HA LYS 50 HA LYS 50 1.559 1.544 -8.218 413 HB2 LYS 50 2HB LYS 50 2.370 -0.628 -9.041 414 HB3 LYS 50 1HB LYS 50 0.775 -1.326 -8.793 415 HG2 LYS 50 2HG LYS 50 -0.145 0.222 -10.470 416 HG3 LYS 50 1HG LYS 50 1.472 0.880 -10.729 417 HD2 LYS 50 2HD LYS 50 0.943 -0.741 -12.461 418 HD3 LYS 50 1HD LYS 50 2.247 -1.353 -11.442 419 HE2 LYS 50 2HE LYS 50 0.663 -2.758 -10.228 420 HE3 LYS 50 1HE LYS 50 -0.669 -2.103 -11.179 421 HZ1 LYS 50 3HZ LYS 50 1.577 -3.762 -12.180 422 HZ2 LYS 50 1HZ LYS 50 0.419 -3.032 -13.172 423 HZ3 LYS 50 2HZ LYS 50 -0.044 -4.218 -12.059 424 H ARG 51 H ARG 51 -0.142 2.756 -8.732 425 HA ARG 51 HA ARG 51 -2.810 1.979 -7.740 426 HB2 ARG 51 2HB ARG 51 -1.870 4.000 -6.741 427 HB3 ARG 51 1HB ARG 51 -1.595 4.687 -8.336 428 HG2 ARG 51 2HG ARG 51 -4.089 4.603 -8.683 429 HG3 ARG 51 1HG ARG 51 -4.233 4.184 -6.974 430 HD2 ARG 51 2HD ARG 51 -4.526 6.528 -7.102 431 HD3 ARG 51 1HD ARG 51 -2.896 6.276 -6.479 432 HE ARG 51 HE ARG 51 -3.492 6.961 -9.290 433 HH11 ARG 51 1HH1 ARG 51 -1.523 7.249 -6.478 434 HH12 ARG 51 2HH1 ARG 51 -0.438 8.363 -7.224 435 HH21 ARG 51 1HH2 ARG 51 -2.117 8.391 -10.225 436 HH22 ARG 51 2HH2 ARG 51 -0.771 9.013 -9.327 437 H ASN 52 H ASN 52 -4.116 1.223 -9.356 438 HA ASN 52 HA ASN 52 -5.233 1.067 -11.351 439 HB2 ASN 52 2HB ASN 52 -5.770 3.451 -10.496 440 HB3 ASN 52 1HB ASN 52 -4.653 4.012 -11.733 441 HD21 ASN 52 1HD2 ASN 52 -7.431 4.600 -11.531 442 HD22 ASN 52 2HD2 ASN 52 -8.182 3.997 -12.964 443 H ASN 53 H ASN 53 -2.581 0.282 -11.553 444 HA ASN 53 HA ASN 53 -0.931 -0.229 -13.023 445 HB2 ASN 53 2HB ASN 53 -2.775 1.056 -15.048 446 HB3 ASN 53 1HB ASN 53 -1.298 0.191 -15.462 447 HD21 ASN 53 1HD2 ASN 53 -4.022 -0.408 -16.207 448 HD22 ASN 53 2HD2 ASN 53 -4.360 -1.992 -15.607 449 H GLU 54 H GLU 54 -1.201 2.530 -11.730 450 HA GLU 54 HA GLU 54 0.943 3.843 -13.287 451 HB2 GLU 54 2HB GLU 54 -1.073 5.108 -11.406 452 HB3 GLU 54 1HB GLU 54 0.230 5.961 -12.221 453 HG2 GLU 54 2HG GLU 54 -0.770 5.436 -14.389 454 HG3 GLU 54 1HG GLU 54 -2.072 4.563 -13.581 455 H MET 55 H MET 55 2.851 4.311 -12.242 456 HA MET 55 HA MET 55 3.405 3.045 -9.741 457 HB2 MET 55 2HB MET 55 5.064 3.389 -11.609 458 HB3 MET 55 1HB MET 55 5.100 5.093 -11.193 459 HG2 MET 55 2HG MET 55 6.937 4.395 -10.061 460 HG3 MET 55 1HG MET 55 5.729 4.143 -8.807 461 HE1 MET 55 3HE MET 55 5.297 0.273 -8.761 462 HE2 MET 55 1HE MET 55 4.251 1.435 -9.574 463 HE3 MET 55 2HE MET 55 4.904 1.804 -7.978 464 H VAL 56 H VAL 56 3.310 3.857 -7.693 465 HA VAL 56 HA VAL 56 2.211 6.518 -7.320 466 HB VAL 56 HB VAL 56 2.920 4.428 -5.244 467 HG11 VAL 56 1HG1 VAL 56 1.252 6.941 -5.024 468 HG12 VAL 56 2HG1 VAL 56 2.810 6.643 -4.255 469 HG13 VAL 56 3HG1 VAL 56 1.397 5.706 -3.771 470 HG21 VAL 56 3HG2 VAL 56 1.232 3.591 -6.782 471 HG22 VAL 56 1HG2 VAL 56 0.272 5.056 -6.565 472 HG23 VAL 56 2HG2 VAL 56 0.501 3.941 -5.217 473 H GLN 57 H GLN 57 3.254 8.304 -6.594 474 HA GLN 57 HA GLN 57 6.115 8.058 -5.919 475 HB2 GLN 57 2HB GLN 57 4.485 10.421 -6.860 476 HB3 GLN 57 1HB GLN 57 6.150 10.554 -6.303 477 HG2 GLN 57 2HG GLN 57 6.812 8.953 -8.083 478 HG3 GLN 57 1HG GLN 57 5.155 8.997 -8.682 479 HE21 GLN 57 1HE2 GLN 57 8.108 10.789 -8.301 480 HE22 GLN 57 2HE2 GLN 57 7.716 12.054 -9.407 481 H PHE 58 H PHE 58 6.824 8.398 -3.918 482 HA PHE 58 HA PHE 58 4.864 9.196 -1.874 483 HB2 PHE 58 2HB PHE 58 7.540 7.812 -1.534 484 HB3 PHE 58 1HB PHE 58 6.316 8.042 -0.289 485 HD1 PHE 58 HD1 PHE 58 4.131 6.850 -0.477 486 HD2 PHE 58 HD2 PHE 58 7.402 6.006 -3.072 487 HE1 PHE 58 HE1 PHE 58 3.079 4.719 -1.108 488 HE2 PHE 58 HE2 PHE 58 6.350 3.875 -3.706 489 HZ PHE 58 HZ PHE 58 4.185 3.230 -2.723 490 H ASN 59 H ASN 59 6.489 11.119 -3.576 491 HA ASN 59 HA ASN 59 8.181 12.406 -1.543 492 HB2 ASN 59 2HB ASN 59 8.972 13.832 -3.410 493 HB3 ASN 59 1HB ASN 59 9.187 12.114 -3.733 494 HD21 ASN 59 1HD2 ASN 59 7.446 14.985 -4.588 495 HD22 ASN 59 2HD2 ASN 59 6.736 14.360 -6.033 496 H THR 60 H THR 60 5.006 12.540 -2.273 497 HA THR 60 HA THR 60 4.781 15.469 -1.987 498 HB THR 60 HB THR 60 3.575 14.749 -3.914 499 HG1 THR 60 HG1 THR 60 1.764 15.790 -3.414 500 HG21 THR 60 3HG2 THR 60 2.216 12.720 -2.128 501 HG22 THR 60 1HG2 THR 60 3.355 12.374 -3.428 502 HG23 THR 60 2HG2 THR 60 1.772 13.057 -3.799 503 H ASP 61 H ASP 61 3.036 16.303 -0.619 504 HA ASP 61 HA ASP 61 2.982 15.124 1.978 505 HB2 ASP 61 2HB ASP 61 2.850 17.571 1.569 506 HB3 ASP 61 1HB ASP 61 1.269 17.350 0.828 507 H ARG 62 H ARG 62 0.988 14.899 -0.832 508 HA ARG 62 HA ARG 62 -1.404 13.961 0.413 509 HB2 ARG 62 2HB ARG 62 -0.391 13.831 -2.428 510 HB3 ARG 62 1HB ARG 62 -1.976 13.237 -1.946 511 HG2 ARG 62 2HG ARG 62 -2.640 15.447 -1.239 512 HG3 ARG 62 1HG ARG 62 -1.024 16.074 -1.585 513 HD2 ARG 62 2HD ARG 62 -1.298 15.752 -3.921 514 HD3 ARG 62 1HD ARG 62 -2.743 14.768 -3.689 515 HE ARG 62 HE ARG 62 -3.882 16.802 -2.964 516 HH11 ARG 62 1HH1 ARG 62 -0.915 17.218 -4.672 517 HH12 ARG 62 2HH1 ARG 62 -1.369 18.777 -5.272 518 HH21 ARG 62 1HH2 ARG 62 -4.432 18.788 -3.728 519 HH22 ARG 62 2HH2 ARG 62 -3.327 19.655 -4.740 520 H ILE 63 H ILE 63 1.557 12.381 -0.496 521 HA ILE 63 HA ILE 63 0.304 9.768 0.084 522 HB ILE 63 HB ILE 63 2.454 10.269 -1.992 523 HG12 ILE 63 2HG1 ILE 63 0.234 11.018 -2.756 524 HG13 ILE 63 1HG1 ILE 63 0.762 9.595 -3.645 525 HG21 ILE 63 1HG2 ILE 63 2.179 7.879 -2.540 526 HG22 ILE 63 2HG2 ILE 63 1.078 7.706 -1.173 527 HG23 ILE 63 3HG2 ILE 63 2.768 8.126 -0.896 528 HD11 ILE 63 3HD1 ILE 63 -1.575 9.418 -3.121 529 HD12 ILE 63 1HD1 ILE 63 -1.251 9.672 -1.406 530 HD13 ILE 63 2HD1 ILE 63 -0.680 8.207 -2.205 531 H SER 64 H SER 64 1.211 8.752 1.752 532 HA SER 64 HA SER 64 4.094 9.023 2.240 533 HB2 SER 64 2HB SER 64 1.999 9.480 4.390 534 HB3 SER 64 1HB SER 64 3.742 9.414 4.653 535 HG SER 64 HG SER 64 3.604 11.180 2.853 536 H LEU 65 H LEU 65 5.024 7.129 2.701 537 HA LEU 65 HA LEU 65 3.312 4.876 3.572 538 HB2 LEU 65 2HB LEU 65 3.853 4.637 1.208 539 HB3 LEU 65 1HB LEU 65 5.558 4.853 1.549 540 HG LEU 65 HG LEU 65 5.498 2.722 2.880 541 HD11 LEU 65 1HD1 LEU 65 3.114 2.658 3.375 542 HD12 LEU 65 2HD1 LEU 65 3.622 1.191 2.541 543 HD13 LEU 65 3HD1 LEU 65 2.748 2.447 1.662 544 HD21 LEU 65 3HD2 LEU 65 5.523 1.258 0.931 545 HD22 LEU 65 1HD2 LEU 65 6.327 2.786 0.575 546 HD23 LEU 65 2HD2 LEU 65 4.696 2.488 -0.025 547 H TYR 66 H TYR 66 3.981 3.901 5.396 548 HA TYR 66 HA TYR 66 6.863 3.764 5.956 549 HB2 TYR 66 2HB TYR 66 6.637 4.381 8.250 550 HB3 TYR 66 1HB TYR 66 5.829 5.628 7.313 551 HD1 TYR 66 HD1 TYR 66 5.373 2.871 9.690 552 HD2 TYR 66 HD2 TYR 66 3.390 5.904 7.443 553 HE1 TYR 66 HE1 TYR 66 3.368 2.582 11.079 554 HE2 TYR 66 HE2 TYR 66 1.381 5.621 8.837 555 HH TYR 66 HH TYR 66 1.360 4.060 11.753 556 H GLN 67 H GLN 67 7.453 2.007 7.418 557 HA GLN 67 HA GLN 67 5.384 -0.059 7.715 558 HB2 GLN 67 2HB GLN 67 6.890 -1.803 6.898 559 HB3 GLN 67 1HB GLN 67 6.597 -0.591 5.662 560 HG2 GLN 67 2HG GLN 67 8.805 -0.560 5.362 561 HG3 GLN 67 1HG GLN 67 8.894 0.326 6.883 562 HE21 GLN 67 1HE2 GLN 67 9.211 -2.800 5.375 563 HE22 GLN 67 2HE2 GLN 67 10.092 -3.549 6.653 564 H ASP 68 H ASP 68 5.465 -1.215 9.548 565 HA ASP 68 HA ASP 68 7.157 -0.257 11.673 566 HB2 ASP 68 2HB ASP 68 4.695 -0.902 11.849 567 HB3 ASP 68 1HB ASP 68 5.213 -2.580 11.751 568 H ASN 69 H ASN 69 8.460 -1.687 13.047 569 HA ASN 69 HA ASN 69 10.257 -3.283 11.514 570 HB2 ASN 69 2HB ASN 69 10.019 -2.937 14.516 571 HB3 ASN 69 1HB ASN 69 11.379 -3.693 13.689 572 HD21 ASN 69 1HD2 ASN 69 12.814 -2.398 12.528 573 HD22 ASN 69 2HD2 ASN 69 12.847 -0.681 12.706 574 H THR 70 H THR 70 7.330 -4.029 13.138 575 HA THR 70 HA THR 70 7.803 -6.840 13.514 576 HB THR 70 HB THR 70 6.013 -5.690 14.762 577 HG1 THR 70 HG1 THR 70 5.444 -7.748 14.752 578 HG21 THR 70 3HG2 THR 70 4.563 -5.529 12.107 579 HG22 THR 70 1HG2 THR 70 5.270 -4.157 12.964 580 HG23 THR 70 2HG2 THR 70 3.927 -5.046 13.680 581 H GLY 71 H GLY 71 7.062 -4.879 10.793 582 HA2 GLY 71 2HA GLY 71 7.281 -5.851 8.571 583 HA3 GLY 71 1HA GLY 71 6.466 -7.286 9.174 584 H ARG 72 H ARG 72 5.188 -4.228 10.165 585 HA ARG 72 HA ARG 72 2.754 -4.757 8.643 586 HB2 ARG 72 2HB ARG 72 2.687 -4.131 11.077 587 HB3 ARG 72 1HB ARG 72 3.277 -2.533 10.632 588 HG2 ARG 72 2HG ARG 72 1.244 -2.351 9.119 589 HG3 ARG 72 1HG ARG 72 0.641 -3.807 9.912 590 HD2 ARG 72 2HD ARG 72 -0.367 -2.077 11.110 591 HD3 ARG 72 1HD ARG 72 1.019 -2.510 12.110 592 HE ARG 72 HE ARG 72 1.005 -0.196 10.276 593 HH11 ARG 72 1HH1 ARG 72 1.832 -1.628 13.311 594 HH12 ARG 72 2HH1 ARG 72 2.524 -0.164 13.920 595 HH21 ARG 72 1HH2 ARG 72 1.861 1.665 11.103 596 HH22 ARG 72 2HH2 ARG 72 2.528 1.667 12.700 597 H VAL 73 H VAL 73 2.396 -3.829 6.713 598 HA VAL 73 HA VAL 73 3.869 -1.404 5.954 599 HB VAL 73 HB VAL 73 2.035 -3.147 4.278 600 HG11 VAL 73 1HG1 VAL 73 3.051 -1.986 2.356 601 HG12 VAL 73 2HG1 VAL 73 3.936 -0.938 3.466 602 HG13 VAL 73 3HG1 VAL 73 2.173 -0.875 3.410 603 HG21 VAL 73 3HG2 VAL 73 4.115 -4.011 3.267 604 HG22 VAL 73 1HG2 VAL 73 3.997 -4.396 4.982 605 HG23 VAL 73 2HG2 VAL 73 5.057 -3.094 4.443 606 H THR 74 H THR 74 2.912 0.585 5.861 607 HA THR 74 HA THR 74 -0.033 0.728 6.014 608 HB THR 74 HB THR 74 1.841 2.327 7.783 609 HG1 THR 74 HG1 THR 74 0.477 -0.068 8.118 610 HG21 THR 74 3HG2 THR 74 -0.136 3.617 7.188 611 HG22 THR 74 1HG2 THR 74 -0.249 3.093 8.868 612 HG23 THR 74 2HG2 THR 74 -1.180 2.262 7.623 613 H LEU 75 H LEU 75 -0.705 1.838 4.309 614 HA LEU 75 HA LEU 75 0.921 4.054 3.243 615 HB2 LEU 75 2HB LEU 75 0.337 2.243 1.676 616 HB3 LEU 75 1HB LEU 75 -1.367 2.522 1.986 617 HG LEU 75 HG LEU 75 -1.165 4.784 0.994 618 HD11 LEU 75 1HD1 LEU 75 1.661 3.948 0.334 619 HD12 LEU 75 2HD1 LEU 75 1.185 5.206 1.476 620 HD13 LEU 75 3HD1 LEU 75 0.848 5.405 -0.243 621 HD21 LEU 75 3HD2 LEU 75 -0.949 4.070 -1.329 622 HD22 LEU 75 1HD2 LEU 75 -1.870 2.893 -0.393 623 HD23 LEU 75 2HD2 LEU 75 -0.187 2.565 -0.812 624 H LEU 76 H LEU 76 0.287 6.091 3.545 625 HA LEU 76 HA LEU 76 -2.488 6.635 4.406 626 HB2 LEU 76 2HB LEU 76 -0.004 8.288 4.918 627 HB3 LEU 76 1HB LEU 76 -1.609 8.604 5.551 628 HG LEU 76 HG LEU 76 0.111 6.213 6.252 629 HD11 LEU 76 1HD1 LEU 76 0.311 7.250 8.451 630 HD12 LEU 76 2HD1 LEU 76 -0.606 8.649 7.888 631 HD13 LEU 76 3HD1 LEU 76 0.978 8.293 7.197 632 HD21 LEU 76 3HD2 LEU 76 -1.595 5.763 7.960 633 HD22 LEU 76 1HD2 LEU 76 -2.254 5.660 6.328 634 HD23 LEU 76 2HD2 LEU 76 -2.577 7.081 7.320 635 H ILE 77 H ILE 77 -3.717 7.628 2.931 636 HA ILE 77 HA ILE 77 -2.407 9.289 0.856 637 HB ILE 77 HB ILE 77 -4.993 7.725 0.628 638 HG12 ILE 77 2HG1 ILE 77 -2.283 7.194 -0.638 639 HG13 ILE 77 1HG1 ILE 77 -2.951 6.297 0.722 640 HG21 ILE 77 1HG2 ILE 77 -5.019 9.739 -0.747 641 HG22 ILE 77 2HG2 ILE 77 -4.884 8.303 -1.760 642 HG23 ILE 77 3HG2 ILE 77 -3.463 9.299 -1.450 643 HD11 ILE 77 3HD1 ILE 77 -4.141 6.426 -2.039 644 HD12 ILE 77 1HD1 ILE 77 -4.756 5.489 -0.679 645 HD13 ILE 77 2HD1 ILE 77 -3.188 5.096 -1.382 646 H LYS 78 H LYS 78 -2.800 11.393 1.058 647 HA LYS 78 HA LYS 78 -5.289 12.324 2.338 648 HB2 LYS 78 2HB LYS 78 -2.661 13.808 2.139 649 HB3 LYS 78 1HB LYS 78 -4.072 14.274 3.080 650 HG2 LYS 78 2HG LYS 78 -3.757 12.402 4.569 651 HG3 LYS 78 1HG LYS 78 -2.430 11.792 3.575 652 HD2 LYS 78 2HD LYS 78 -1.164 13.864 4.041 653 HD3 LYS 78 1HD LYS 78 -2.476 14.409 5.090 654 HE2 LYS 78 2HE LYS 78 -2.125 12.477 6.546 655 HE3 LYS 78 1HE LYS 78 -0.837 11.901 5.487 656 HZ1 LYS 78 3HZ LYS 78 0.407 13.923 5.980 657 HZ2 LYS 78 1HZ LYS 78 0.063 13.060 7.393 658 HZ3 LYS 78 2HZ LYS 78 -0.824 14.448 7.013 659 H ASP 79 H ASP 79 -6.405 14.087 1.445 660 HA ASP 79 HA ASP 79 -7.222 15.498 -0.126 661 HB2 ASP 79 2HB ASP 79 -4.999 16.589 0.532 662 HB3 ASP 79 1HB ASP 79 -4.366 15.972 -0.991 663 H VAL 80 H VAL 80 -7.072 12.773 -0.891 664 HA VAL 80 HA VAL 80 -6.185 12.565 -3.628 665 HB VAL 80 HB VAL 80 -6.212 10.663 -1.978 666 HG11 VAL 80 1HG1 VAL 80 -9.185 10.662 -2.488 667 HG12 VAL 80 2HG1 VAL 80 -8.401 11.094 -0.967 668 HG13 VAL 80 3HG1 VAL 80 -8.282 9.446 -1.585 669 HG21 VAL 80 3HG2 VAL 80 -7.715 10.213 -4.556 670 HG22 VAL 80 1HG2 VAL 80 -6.938 8.957 -3.589 671 HG23 VAL 80 2HG2 VAL 80 -5.964 10.216 -4.346 672 H ASN 81 H ASN 81 -7.474 12.580 -5.522 673 HA ASN 81 HA ASN 81 -10.333 13.241 -5.126 674 HB2 ASN 81 2HB ASN 81 -10.284 14.996 -6.607 675 HB3 ASN 81 1HB ASN 81 -8.658 15.119 -5.957 676 HD21 ASN 81 1HD2 ASN 81 -6.922 14.341 -7.277 677 HD22 ASN 81 2HD2 ASN 81 -7.102 14.247 -8.980 678 H LYS 82 H LYS 82 -11.356 13.150 -7.615 679 HA LYS 82 HA LYS 82 -11.743 10.415 -8.037 680 HB2 LYS 82 2HB LYS 82 -12.225 12.674 -9.993 681 HB3 LYS 82 1HB LYS 82 -12.915 11.059 -10.110 682 HG2 LYS 82 2HG LYS 82 -13.404 12.977 -7.834 683 HG3 LYS 82 1HG LYS 82 -14.484 12.750 -9.207 684 HD2 LYS 82 2HD LYS 82 -13.685 10.383 -7.553 685 HD3 LYS 82 1HD LYS 82 -14.904 11.495 -6.939 686 HE2 LYS 82 2HE LYS 82 -15.997 9.674 -8.072 687 HE3 LYS 82 1HE LYS 82 -16.216 11.152 -9.006 688 HZ1 LYS 82 3HZ LYS 82 -15.696 9.301 -10.430 689 HZ2 LYS 82 1HZ LYS 82 -14.263 8.995 -9.590 690 HZ3 LYS 82 2HZ LYS 82 -14.439 10.422 -10.480 691 H LYS 83 H LYS 83 -9.295 12.506 -9.398 692 HA LYS 83 HA LYS 83 -8.597 10.951 -11.666 693 HB2 LYS 83 2HB LYS 83 -6.710 12.688 -10.058 694 HB3 LYS 83 1HB LYS 83 -6.548 12.227 -11.747 695 HG2 LYS 83 2HG LYS 83 -8.508 14.149 -10.526 696 HG3 LYS 83 1HG LYS 83 -7.231 14.495 -11.684 697 HD2 LYS 83 2HD LYS 83 -9.668 12.803 -12.229 698 HD3 LYS 83 1HD LYS 83 -9.479 14.492 -12.693 699 HE2 LYS 83 2HE LYS 83 -7.517 13.855 -14.071 700 HE3 LYS 83 1HE LYS 83 -7.805 12.166 -13.656 701 HZ1 LYS 83 3HZ LYS 83 -9.664 13.939 -15.143 702 HZ2 LYS 83 1HZ LYS 83 -9.990 12.338 -14.706 703 HZ3 LYS 83 2HZ LYS 83 -8.746 12.683 -15.795 704 H ASP 84 H ASP 84 -7.843 10.651 -8.291 705 HA ASP 84 HA ASP 84 -5.551 8.903 -8.794 706 HB2 ASP 84 2HB ASP 84 -6.554 10.070 -6.190 707 HB3 ASP 84 1HB ASP 84 -5.049 9.182 -6.423 708 H ALA 85 H ALA 85 -8.802 8.309 -8.500 709 HA ALA 85 HA ALA 85 -8.645 6.188 -6.529 710 HB1 ALA 85 3HB ALA 85 -10.863 6.845 -8.471 711 HB2 ALA 85 1HB ALA 85 -10.717 7.463 -6.826 712 HB3 ALA 85 2HB ALA 85 -10.977 5.740 -7.101 713 H GLY 86 H GLY 86 -8.618 3.972 -6.892 714 HA2 GLY 86 2HA GLY 86 -8.875 2.661 -9.347 715 HA3 GLY 86 1HA GLY 86 -7.184 3.104 -9.181 716 H TRP 87 H TRP 87 -7.282 0.585 -9.381 717 HA TRP 87 HA TRP 87 -7.415 -0.640 -6.730 718 HB2 TRP 87 2HB TRP 87 -6.964 -1.711 -9.505 719 HB3 TRP 87 1HB TRP 87 -6.542 -2.681 -8.098 720 HD1 TRP 87 HD1 TRP 87 -9.659 -0.993 -9.679 721 HE1 TRP 87 HE1 TRP 87 -11.739 -2.319 -8.933 722 HE3 TRP 87 HE3 TRP 87 -7.415 -4.291 -6.472 723 HZ2 TRP 87 HZ2 TRP 87 -12.341 -4.483 -7.225 724 HZ3 TRP 87 HZ3 TRP 87 -8.817 -5.957 -5.325 725 HH2 TRP 87 HH2 TRP 87 -11.223 -6.050 -5.693 726 H TYR 88 H TYR 88 -5.723 -0.781 -5.428 727 HA TYR 88 HA TYR 88 -3.060 -0.021 -6.357 728 HB2 TYR 88 2HB TYR 88 -4.271 -0.358 -3.612 729 HB3 TYR 88 1HB TYR 88 -2.548 -0.093 -3.853 730 HD1 TYR 88 HD1 TYR 88 -5.863 1.417 -4.708 731 HD2 TYR 88 HD2 TYR 88 -1.739 2.090 -3.883 732 HE1 TYR 88 HE1 TYR 88 -6.255 3.843 -4.742 733 HE2 TYR 88 HE2 TYR 88 -2.125 4.516 -3.908 734 HH TYR 88 HH TYR 88 -5.251 5.890 -3.903 735 H THR 89 H THR 89 -1.722 -1.578 -6.999 736 HA THR 89 HA THR 89 -1.885 -4.268 -5.827 737 HB THR 89 HB THR 89 -0.310 -3.287 -8.227 738 HG1 THR 89 HG1 THR 89 -2.753 -4.738 -7.988 739 HG21 THR 89 3HG2 THR 89 0.763 -5.221 -7.155 740 HG22 THR 89 1HG2 THR 89 0.065 -5.661 -8.715 741 HG23 THR 89 2HG2 THR 89 -0.762 -6.104 -7.219 742 H VAL 90 H VAL 90 -0.594 -4.686 -4.135 743 HA VAL 90 HA VAL 90 1.905 -3.170 -3.823 744 HB VAL 90 HB VAL 90 0.475 -3.038 -1.889 745 HG11 VAL 90 1HG1 VAL 90 0.542 -6.058 -1.795 746 HG12 VAL 90 2HG1 VAL 90 -0.847 -5.062 -2.224 747 HG13 VAL 90 3HG1 VAL 90 -0.194 -5.005 -0.587 748 HG21 VAL 90 3HG2 VAL 90 2.820 -4.874 -1.354 749 HG22 VAL 90 1HG2 VAL 90 1.989 -3.892 -0.146 750 HG23 VAL 90 2HG2 VAL 90 2.875 -3.113 -1.457 751 H SER 91 H SER 91 3.745 -4.077 -4.384 752 HA SER 91 HA SER 91 3.970 -7.019 -4.513 753 HB2 SER 91 2HB SER 91 5.649 -4.924 -5.929 754 HB3 SER 91 1HB SER 91 5.770 -6.669 -6.140 755 HG SER 91 HG SER 91 3.442 -6.478 -6.777 756 H ALA 92 H ALA 92 5.313 -8.024 -3.122 757 HA ALA 92 HA ALA 92 7.428 -6.432 -1.792 758 HB1 ALA 92 3HB ALA 92 7.143 -7.818 0.186 759 HB2 ALA 92 1HB ALA 92 5.888 -8.755 -0.625 760 HB3 ALA 92 2HB ALA 92 5.614 -7.053 -0.250 761 H VAL 93 H VAL 93 9.413 -7.038 -2.440 762 HA VAL 93 HA VAL 93 9.822 -9.856 -3.246 763 HB VAL 93 HB VAL 93 9.848 -8.450 -5.216 764 HG11 VAL 93 1HG1 VAL 93 12.088 -6.901 -3.910 765 HG12 VAL 93 2HG1 VAL 93 10.442 -6.320 -4.154 766 HG13 VAL 93 3HG1 VAL 93 11.471 -6.661 -5.544 767 HG21 VAL 93 3HG2 VAL 93 11.371 -10.358 -5.180 768 HG22 VAL 93 1HG2 VAL 93 12.636 -9.351 -4.475 769 HG23 VAL 93 2HG2 VAL 93 12.061 -9.028 -6.112 770 H ASN 94 H ASN 94 11.117 -10.916 -1.953 771 HA ASN 94 HA ASN 94 13.499 -9.604 -0.789 772 HB2 ASN 94 2HB ASN 94 11.815 -10.626 0.807 773 HB3 ASN 94 1HB ASN 94 12.185 -12.194 0.096 774 HD21 ASN 94 1HD2 ASN 94 13.270 -9.692 2.195 775 HD22 ASN 94 2HD2 ASN 94 14.631 -10.534 2.827 776 H GLU 95 H GLU 95 15.420 -11.267 -0.584 777 HA GLU 95 HA GLU 95 15.896 -12.485 -3.143 778 HB2 GLU 95 2HB GLU 95 18.049 -13.160 -2.259 779 HB3 GLU 95 1HB GLU 95 17.727 -11.497 -1.792 780 HG2 GLU 95 2HG GLU 95 17.195 -12.166 0.454 781 HG3 GLU 95 1HG GLU 95 17.292 -13.872 0.017 782 H ALA 96 H ALA 96 14.724 -13.575 -0.061 783 HA ALA 96 HA ALA 96 14.973 -16.385 -0.496 784 HB1 ALA 96 3HB ALA 96 13.123 -14.882 1.359 785 HB2 ALA 96 1HB ALA 96 14.762 -15.412 1.738 786 HB3 ALA 96 2HB ALA 96 13.500 -16.606 1.436 787 H GLY 97 H GLY 97 12.530 -14.005 -1.341 788 HA2 GLY 97 2HA GLY 97 11.296 -15.550 -3.312 789 HA3 GLY 97 1HA GLY 97 10.380 -15.799 -1.835 790 H VAL 98 H VAL 98 8.838 -14.823 -3.621 791 HA VAL 98 HA VAL 98 8.583 -11.950 -3.043 792 HB VAL 98 HB VAL 98 9.711 -12.074 -5.209 793 HG11 VAL 98 1HG1 VAL 98 8.956 -14.293 -5.908 794 HG12 VAL 98 2HG1 VAL 98 8.647 -13.091 -7.162 795 HG13 VAL 98 3HG1 VAL 98 7.324 -13.670 -6.148 796 HG21 VAL 98 3HG2 VAL 98 8.148 -10.237 -4.850 797 HG22 VAL 98 1HG2 VAL 98 6.821 -11.222 -5.472 798 HG23 VAL 98 2HG2 VAL 98 8.137 -10.737 -6.541 799 H THR 99 H THR 99 6.501 -11.171 -2.915 800 HA THR 99 HA THR 99 4.264 -12.861 -3.772 801 HB THR 99 HB THR 99 4.539 -13.497 -1.439 802 HG1 THR 99 HG1 THR 99 2.403 -12.809 -0.722 803 HG21 THR 99 3HG2 THR 99 5.696 -11.486 -0.628 804 HG22 THR 99 1HG2 THR 99 4.295 -11.864 0.376 805 HG23 THR 99 2HG2 THR 99 4.209 -10.556 -0.804 806 H THR 100 H THR 100 2.384 -11.731 -4.306 807 HA THR 100 HA THR 100 2.433 -8.796 -4.026 808 HB THR 100 HB THR 100 1.894 -10.228 -6.644 809 HG1 THR 100 HG1 THR 100 4.093 -10.185 -6.263 810 HG21 THR 100 3HG2 THR 100 0.545 -8.207 -6.426 811 HG22 THR 100 1HG2 THR 100 1.830 -7.961 -7.607 812 HG23 THR 100 2HG2 THR 100 1.980 -7.276 -5.987 813 H CYS 101 H CYS 101 0.484 -7.922 -3.531 814 HA CYS 101 HA CYS 101 -1.958 -9.507 -4.035 815 HB2 CYS 101 2HB CYS 101 -1.368 -9.803 -1.672 816 HB3 CYS 101 1HB CYS 101 -1.315 -8.058 -1.452 817 HG CYS 101 HG CYS 101 -4.037 -7.658 -1.801 818 H ASN 102 H ASN 102 -3.962 -8.229 -3.982 819 HA ASN 102 HA ASN 102 -3.499 -5.478 -4.954 820 HB2 ASN 102 2HB ASN 102 -5.657 -7.467 -5.694 821 HB3 ASN 102 1HB ASN 102 -5.640 -5.788 -6.226 822 HD21 ASN 102 1HD2 ASN 102 -5.494 -6.387 -8.394 823 HD22 ASN 102 2HD2 ASN 102 -4.043 -7.028 -9.072 824 H THR 103 H THR 103 -5.009 -3.849 -4.449 825 HA THR 103 HA THR 103 -7.034 -4.366 -2.391 826 HB THR 103 HB THR 103 -4.905 -2.221 -2.086 827 HG1 THR 103 HG1 THR 103 -4.999 -4.812 -1.294 828 HG21 THR 103 3HG2 THR 103 -7.073 -1.493 -1.203 829 HG22 THR 103 1HG2 THR 103 -5.944 -1.815 0.114 830 HG23 THR 103 2HG2 THR 103 -7.206 -2.985 -0.272 831 H ARG 104 H ARG 104 -8.736 -2.779 -2.383 832 HA ARG 104 HA ARG 104 -8.751 -1.071 -4.796 833 HB2 ARG 104 2HB ARG 104 -10.458 -2.763 -4.888 834 HB3 ARG 104 1HB ARG 104 -11.024 -2.359 -3.273 835 HG2 ARG 104 2HG ARG 104 -11.780 -0.173 -4.072 836 HG3 ARG 104 1HG ARG 104 -11.191 -0.560 -5.690 837 HD2 ARG 104 2HD ARG 104 -12.793 -2.323 -5.928 838 HD3 ARG 104 1HD ARG 104 -13.276 -2.190 -4.235 839 HE ARG 104 HE ARG 104 -13.752 0.284 -5.336 840 HH11 ARG 104 1HH1 ARG 104 -14.832 -2.940 -5.950 841 HH12 ARG 104 2HH1 ARG 104 -16.378 -2.421 -6.525 842 HH21 ARG 104 1HH2 ARG 104 -15.708 0.931 -6.072 843 HH22 ARG 104 2HH2 ARG 104 -16.876 -0.242 -6.585 844 H LEU 105 H LEU 105 -9.176 1.093 -4.667 845 HA LEU 105 HA LEU 105 -10.166 2.205 -2.123 846 HB2 LEU 105 2HB LEU 105 -7.721 2.543 -2.232 847 HB3 LEU 105 1HB LEU 105 -7.911 3.379 -3.761 848 HG LEU 105 HG LEU 105 -9.282 5.114 -2.588 849 HD11 LEU 105 1HD1 LEU 105 -8.387 3.661 -0.099 850 HD12 LEU 105 2HD1 LEU 105 -10.040 3.783 -0.703 851 HD13 LEU 105 3HD1 LEU 105 -9.198 5.229 -0.146 852 HD21 LEU 105 3HD2 LEU 105 -7.384 6.219 -1.495 853 HD22 LEU 105 1HD2 LEU 105 -6.925 5.507 -3.041 854 HD23 LEU 105 2HD2 LEU 105 -6.483 4.704 -1.534 855 H ASP 106 H ASP 106 -11.888 3.491 -2.411 856 HA ASP 106 HA ASP 106 -12.476 4.471 -5.134 857 HB2 ASP 106 2HB ASP 106 -14.338 3.860 -2.828 858 HB3 ASP 106 1HB ASP 106 -14.851 4.546 -4.367 859 H VAL 107 H VAL 107 -12.992 6.599 -5.498 860 HA VAL 107 HA VAL 107 -13.116 8.414 -3.170 861 HB VAL 107 HB VAL 107 -11.831 9.076 -5.836 862 HG11 VAL 107 1HG1 VAL 107 -12.073 10.693 -3.294 863 HG12 VAL 107 2HG1 VAL 107 -12.866 11.026 -4.832 864 HG13 VAL 107 3HG1 VAL 107 -11.113 11.153 -4.700 865 HG21 VAL 107 3HG2 VAL 107 -10.431 7.533 -4.566 866 HG22 VAL 107 1HG2 VAL 107 -10.541 8.576 -3.148 867 HG23 VAL 107 2HG2 VAL 107 -9.708 9.142 -4.596 868 H THR 108 H THR 108 -14.654 10.024 -3.251 869 HA THR 108 HA THR 108 -16.537 9.935 -5.535 870 HB THR 108 HB THR 108 -17.272 10.479 -2.645 871 HG1 THR 108 HG1 THR 108 -16.805 8.332 -2.714 872 HG21 THR 108 3HG2 THR 108 -19.578 10.186 -3.418 873 HG22 THR 108 1HG2 THR 108 -18.999 9.943 -5.067 874 HG23 THR 108 2HG2 THR 108 -18.789 11.507 -4.280 875 H ALA 109 H ALA 109 -17.445 11.912 -6.219 876 HA ALA 109 HA ALA 109 -15.731 14.183 -5.839 877 HB1 ALA 109 3HB ALA 109 -17.117 15.266 -7.523 878 HB2 ALA 109 1HB ALA 109 -18.309 13.972 -7.397 879 HB3 ALA 109 2HB ALA 109 -16.698 13.629 -8.027 880 H ARG 110 H ARG 110 -15.990 15.891 -4.524 881 HA ARG 110 HA ARG 110 -17.997 15.901 -2.512 882 HB2 ARG 110 2HB ARG 110 -15.851 17.851 -3.314 883 HB3 ARG 110 1HB ARG 110 -17.036 18.283 -2.088 884 HG2 ARG 110 2HG ARG 110 -16.343 16.316 -0.766 885 HG3 ARG 110 1HG ARG 110 -15.105 15.968 -1.975 886 HD2 ARG 110 2HD ARG 110 -13.953 18.003 -1.501 887 HD3 ARG 110 1HD ARG 110 -15.282 18.600 -0.506 888 HE ARG 110 HE ARG 110 -14.540 16.338 0.767 889 HH11 ARG 110 1HH1 ARG 110 -12.716 19.045 -0.355 890 HH12 ARG 110 2HH1 ARG 110 -11.582 18.942 0.945 891 HH21 ARG 110 1HH2 ARG 110 -13.069 16.205 2.389 892 HH22 ARG 110 2HH2 ARG 110 -11.784 17.360 2.486 893 HA PRO 111 HA PRO 111 -21.286 18.215 -4.495 894 HB2 PRO 111 2HB PRO 111 -22.397 19.302 -2.223 895 HB3 PRO 111 1HB PRO 111 -22.694 17.648 -2.769 896 HG2 PRO 111 2HG PRO 111 -20.778 18.644 -0.688 897 HG3 PRO 111 1HG PRO 111 -21.843 17.225 -0.642 898 HD2 PRO 111 2HD PRO 111 -19.218 16.996 -1.174 899 HD3 PRO 111 1HD PRO 111 -20.417 15.956 -1.969 900 H ASN 112 H ASN 112 -19.029 19.638 -2.226 901 HA ASN 112 HA ASN 112 -18.883 22.050 -3.855 902 HB2 ASN 112 2HB ASN 112 -20.532 22.595 -2.081 903 HB3 ASN 112 1HB ASN 112 -19.340 22.179 -0.855 904 HD21 ASN 112 1HD2 ASN 112 -19.461 24.265 0.005 905 HD22 ASN 112 2HD2 ASN 112 -18.727 25.616 -0.780 906 H GLN 113 H GLN 113 -16.800 22.597 -4.160 907 HA GLN 113 HA GLN 113 -14.745 21.022 -2.863 908 HB2 GLN 113 2HB GLN 113 -13.215 22.145 -4.469 909 HB3 GLN 113 1HB GLN 113 -14.578 21.349 -5.246 910 HG2 GLN 113 2HG GLN 113 -15.714 23.536 -5.425 911 HG3 GLN 113 1HG GLN 113 -14.288 24.307 -4.730 912 HE21 GLN 113 1HE2 GLN 113 -12.445 22.525 -6.162 913 HE22 GLN 113 2HE2 GLN 113 -12.453 23.072 -7.798 914 H THR 114 H THR 114 -12.954 21.815 -1.698 915 HA THR 114 HA THR 114 -13.510 24.189 -0.106 916 HB THR 114 HB THR 114 -11.505 23.538 1.206 917 HG1 THR 114 HG1 THR 114 -10.132 22.127 0.413 918 HG21 THR 114 3HG2 THR 114 -12.423 21.470 2.139 919 HG22 THR 114 1HG2 THR 114 -13.420 21.248 0.701 920 HG23 THR 114 2HG2 THR 114 -13.717 22.614 1.778 921 H LEU 115 H LEU 115 -11.796 23.578 -2.953 922 HA LEU 115 HA LEU 115 -9.964 25.841 -2.532 923 HB2 LEU 115 2HB LEU 115 -10.041 23.756 -4.720 924 HB3 LEU 115 1HB LEU 115 -8.934 25.115 -4.696 925 HG LEU 115 HG LEU 115 -8.070 24.198 -2.471 926 HD11 LEU 115 1HD1 LEU 115 -8.406 21.828 -2.037 927 HD12 LEU 115 2HD1 LEU 115 -9.540 21.724 -3.383 928 HD13 LEU 115 3HD1 LEU 115 -9.937 22.701 -1.969 929 HD21 LEU 115 3HD2 LEU 115 -6.798 24.021 -4.535 930 HD22 LEU 115 1HD2 LEU 115 -7.677 22.558 -4.977 931 HD23 LEU 115 2HD2 LEU 115 -6.613 22.558 -3.570 932 HA PRO 116 HA PRO 116 -13.143 28.213 -4.793 933 HB2 PRO 116 2HB PRO 116 -11.221 30.411 -4.237 934 HB3 PRO 116 1HB PRO 116 -12.946 30.303 -3.870 935 HG2 PRO 116 2HG PRO 116 -11.119 30.090 -1.935 936 HG3 PRO 116 1HG PRO 116 -12.589 29.096 -1.918 937 HD2 PRO 116 2HD PRO 116 -9.799 28.339 -2.743 938 HD3 PRO 116 1HD PRO 116 -10.973 27.426 -1.768 Start of MODEL 20 1 H1 MET 1 1H MET 1 32.067 -36.211 15.434 2 H2 MET 1 2H MET 1 30.520 -35.851 16.007 3 H3 MET 1 3H MET 1 31.674 -34.621 15.869 4 HA MET 1 HA MET 1 30.484 -36.155 13.623 5 HB2 MET 1 2HB MET 1 30.098 -33.266 14.459 6 HB3 MET 1 1HB MET 1 29.432 -33.998 13.007 7 HG2 MET 1 2HG MET 1 28.013 -35.429 14.300 8 HG3 MET 1 1HG MET 1 28.783 -34.915 15.802 9 HE1 MET 1 3HE MET 1 27.804 -32.649 12.725 10 HE2 MET 1 1HE MET 1 26.189 -32.118 13.189 11 HE3 MET 1 2HE MET 1 26.481 -33.812 12.793 12 H GLY 2 H GLY 2 33.343 -34.956 14.630 13 HA2 GLY 2 2HA GLY 2 33.985 -33.429 12.207 14 HA3 GLY 2 1HA GLY 2 34.954 -33.523 13.664 15 H HIS 3 H HIS 3 33.733 -35.765 11.138 16 HA HIS 3 HA HIS 3 36.333 -37.128 11.180 17 HB2 HIS 3 2HB HIS 3 34.132 -38.405 11.176 18 HB3 HIS 3 1HB HIS 3 33.925 -37.877 9.509 19 HD1 HIS 3 HD1 HIS 3 36.508 -39.751 11.583 20 HD2 HIS 3 HD2 HIS 3 35.016 -39.608 7.707 21 HE1 HIS 3 HE1 HIS 3 37.643 -41.618 10.356 22 HE2 HIS 3 HE2 HIS 3 36.567 -41.643 8.093 23 H HIS 4 H HIS 4 34.369 -35.055 9.147 24 HA HIS 4 HA HIS 4 36.766 -34.518 7.539 25 HB2 HIS 4 2HB HIS 4 35.481 -34.411 5.455 26 HB3 HIS 4 1HB HIS 4 35.394 -36.018 6.164 27 HD1 HIS 4 HD1 HIS 4 33.313 -33.275 4.935 28 HD2 HIS 4 HD2 HIS 4 32.830 -36.583 7.405 29 HE1 HIS 4 HE1 HIS 4 30.835 -33.623 5.117 30 HE2 HIS 4 HE2 HIS 4 30.579 -35.739 6.452 31 H HIS 5 H HIS 5 36.901 -32.363 6.716 32 HA HIS 5 HA HIS 5 35.591 -30.524 8.571 33 HB2 HIS 5 2HB HIS 5 37.916 -30.102 6.680 34 HB3 HIS 5 1HB HIS 5 37.338 -28.929 7.859 35 HD1 HIS 5 HD1 HIS 5 37.704 -29.538 10.395 36 HD2 HIS 5 HD2 HIS 5 39.609 -32.045 7.686 37 HE1 HIS 5 HE1 HIS 5 39.412 -30.799 11.732 38 HE2 HIS 5 HE2 HIS 5 40.677 -32.153 10.035 39 H HIS 6 H HIS 6 34.583 -28.586 8.008 40 HA HIS 6 HA HIS 6 34.522 -27.481 5.423 41 HB2 HIS 6 2HB HIS 6 32.096 -27.786 4.887 42 HB3 HIS 6 1HB HIS 6 33.036 -29.265 4.778 43 HD1 HIS 6 HD1 HIS 6 32.226 -31.213 6.086 44 HD2 HIS 6 HD2 HIS 6 30.390 -27.682 7.261 45 HE1 HIS 6 HE1 HIS 6 30.416 -31.900 7.680 46 HE2 HIS 6 HE2 HIS 6 29.200 -29.765 8.222 47 H HIS 7 H HIS 7 34.072 -25.347 5.616 48 HA HIS 7 HA HIS 7 33.147 -24.361 8.197 49 HB2 HIS 7 2HB HIS 7 34.363 -23.043 5.776 50 HB3 HIS 7 1HB HIS 7 33.614 -22.082 7.047 51 HD1 HIS 7 HD1 HIS 7 35.173 -21.345 8.803 52 HD2 HIS 7 HD2 HIS 7 36.485 -24.829 6.959 53 HE1 HIS 7 HE1 HIS 7 37.404 -21.852 9.837 54 HE2 HIS 7 HE2 HIS 7 38.235 -23.887 8.614 55 H HIS 8 H HIS 8 31.320 -23.086 8.552 56 HA HIS 8 HA HIS 8 29.651 -22.209 6.394 57 HB2 HIS 8 2HB HIS 8 27.655 -23.496 6.886 58 HB3 HIS 8 1HB HIS 8 28.976 -24.586 6.503 59 HD1 HIS 8 HD1 HIS 8 27.458 -26.394 7.722 60 HD2 HIS 8 HD2 HIS 8 28.992 -23.428 10.192 61 HE1 HIS 8 HE1 HIS 8 27.150 -27.239 10.062 62 HE2 HIS 8 HE2 HIS 8 27.905 -25.349 11.532 63 H SER 9 H SER 9 27.434 -21.406 7.371 64 HA SER 9 HA SER 9 27.975 -20.121 9.980 65 HB2 SER 9 2HB SER 9 27.935 -18.502 8.107 66 HB3 SER 9 1HB SER 9 26.313 -19.040 7.682 67 HG SER 9 HG SER 9 26.295 -17.147 8.966 68 H HIS 10 H HIS 10 25.558 -19.198 10.699 69 HA HIS 10 HA HIS 10 23.679 -21.466 10.546 70 HB2 HIS 10 2HB HIS 10 25.135 -21.639 12.600 71 HB3 HIS 10 1HB HIS 10 24.447 -20.117 13.152 72 HD1 HIS 10 HD1 HIS 10 22.564 -20.405 14.718 73 HD2 HIS 10 HD2 HIS 10 22.911 -23.644 12.139 74 HE1 HIS 10 HE1 HIS 10 20.808 -22.037 15.449 75 HE2 HIS 10 HE2 HIS 10 20.942 -23.922 13.792 76 H GLU 11 H GLU 11 23.379 -19.150 9.112 77 HA GLU 11 HA GLU 11 21.693 -17.293 10.620 78 HB2 GLU 11 2HB GLU 11 22.703 -17.164 7.769 79 HB3 GLU 11 1HB GLU 11 21.842 -15.880 8.608 80 HG2 GLU 11 2HG GLU 11 23.650 -15.531 10.113 81 HG3 GLU 11 1HG GLU 11 24.469 -16.993 9.569 82 H HIS 12 H HIS 12 19.544 -17.034 10.345 83 HA HIS 12 HA HIS 12 18.161 -18.869 8.487 84 HB2 HIS 12 2HB HIS 12 17.081 -17.509 10.973 85 HB3 HIS 12 1HB HIS 12 16.226 -18.680 9.975 86 HD1 HIS 12 HD1 HIS 12 18.586 -18.402 12.782 87 HD2 HIS 12 HD2 HIS 12 17.271 -21.356 10.176 88 HE1 HIS 12 HE1 HIS 12 19.278 -20.573 13.824 89 HE2 HIS 12 HE2 HIS 12 18.276 -22.338 12.343 90 H LYS 13 H LYS 13 17.239 -17.978 6.723 91 HA LYS 13 HA LYS 13 16.232 -15.202 6.901 92 HB2 LYS 13 2HB LYS 13 17.170 -16.710 4.445 93 HB3 LYS 13 1HB LYS 13 16.478 -15.091 4.433 94 HG2 LYS 13 2HG LYS 13 18.358 -14.377 5.941 95 HG3 LYS 13 1HG LYS 13 19.082 -15.963 5.677 96 HD2 LYS 13 2HD LYS 13 18.449 -13.933 3.525 97 HD3 LYS 13 1HD LYS 13 20.046 -14.248 4.204 98 HE2 LYS 13 2HE LYS 13 19.868 -16.595 3.393 99 HE3 LYS 13 1HE LYS 13 18.344 -16.172 2.611 100 HZ1 LYS 13 3HZ LYS 13 19.554 -14.497 1.310 101 HZ2 LYS 13 1HZ LYS 13 20.148 -16.059 1.040 102 HZ3 LYS 13 2HZ LYS 13 21.007 -14.990 2.026 103 H ARG 14 H ARG 14 14.237 -14.724 5.753 104 HA ARG 14 HA ARG 14 12.456 -17.038 5.382 105 HB2 ARG 14 2HB ARG 14 12.153 -16.368 7.685 106 HB3 ARG 14 1HB ARG 14 11.970 -14.685 7.221 107 HG2 ARG 14 2HG ARG 14 9.821 -15.607 7.777 108 HG3 ARG 14 1HG ARG 14 9.876 -15.259 6.049 109 HD2 ARG 14 2HD ARG 14 10.351 -17.637 5.605 110 HD3 ARG 14 1HD ARG 14 10.235 -17.968 7.334 111 HE ARG 14 HE ARG 14 7.974 -16.906 5.773 112 HH11 ARG 14 1HH1 ARG 14 9.282 -19.124 8.059 113 HH12 ARG 14 2HH1 ARG 14 7.753 -19.853 8.395 114 HH21 ARG 14 1HH2 ARG 14 6.011 -17.846 6.215 115 HH22 ARG 14 2HH2 ARG 14 5.911 -19.122 7.372 116 H ALA 15 H ALA 15 11.129 -16.857 3.675 117 HA ALA 15 HA ALA 15 11.112 -14.556 1.987 118 HB1 ALA 15 3HB ALA 15 9.330 -16.995 1.911 119 HB2 ALA 15 1HB ALA 15 10.901 -16.845 1.121 120 HB3 ALA 15 2HB ALA 15 9.555 -15.827 0.606 121 HA PRO 16 HA PRO 16 7.776 -12.212 3.713 122 HB2 PRO 16 2HB PRO 16 6.856 -10.882 1.541 123 HB3 PRO 16 1HB PRO 16 8.433 -10.543 2.264 124 HG2 PRO 16 2HG PRO 16 7.774 -12.243 -0.124 125 HG3 PRO 16 1HG PRO 16 9.052 -11.024 0.058 126 HD2 PRO 16 2HD PRO 16 9.540 -13.674 0.304 127 HD3 PRO 16 1HD PRO 16 10.423 -12.455 1.248 128 H MET 17 H MET 17 5.718 -12.524 4.273 129 HA MET 17 HA MET 17 3.844 -13.830 2.414 130 HB2 MET 17 2HB MET 17 4.543 -15.633 3.789 131 HB3 MET 17 1HB MET 17 4.496 -14.650 5.244 132 HG2 MET 17 2HG MET 17 2.661 -16.259 5.151 133 HG3 MET 17 1HG MET 17 2.080 -14.596 5.178 134 HE1 MET 17 3HE MET 17 -0.297 -15.286 4.428 135 HE2 MET 17 1HE MET 17 0.171 -16.989 4.403 136 HE3 MET 17 2HE MET 17 -0.655 -16.283 3.014 137 H PHE 18 H PHE 18 2.020 -12.671 2.202 138 HA PHE 18 HA PHE 18 1.326 -10.517 3.957 139 HB2 PHE 18 2HB PHE 18 -0.031 -11.817 1.606 140 HB3 PHE 18 1HB PHE 18 -0.910 -10.672 2.604 141 HD1 PHE 18 HD1 PHE 18 -0.270 -8.313 2.658 142 HD2 PHE 18 HD2 PHE 18 1.704 -11.088 0.100 143 HE1 PHE 18 HE1 PHE 18 0.636 -6.444 1.338 144 HE2 PHE 18 HE2 PHE 18 2.620 -9.223 -1.217 145 HZ PHE 18 HZ PHE 18 2.087 -6.900 -0.603 146 H ILE 19 H ILE 19 0.751 -11.036 6.006 147 HA ILE 19 HA ILE 19 -0.910 -13.290 6.663 148 HB ILE 19 HB ILE 19 -0.370 -10.874 8.411 149 HG12 ILE 19 2HG1 ILE 19 1.290 -13.406 8.167 150 HG13 ILE 19 1HG1 ILE 19 1.760 -11.825 7.547 151 HG21 ILE 19 1HG2 ILE 19 -1.084 -13.742 9.065 152 HG22 ILE 19 2HG2 ILE 19 -2.136 -12.333 9.232 153 HG23 ILE 19 3HG2 ILE 19 -0.706 -12.491 10.252 154 HD11 ILE 19 3HD1 ILE 19 1.341 -12.557 10.438 155 HD12 ILE 19 1HD1 ILE 19 1.743 -10.946 9.843 156 HD13 ILE 19 2HD1 ILE 19 2.883 -12.276 9.631 157 H TYR 20 H TYR 20 -1.394 -9.839 6.178 158 HA TYR 20 HA TYR 20 -4.287 -10.321 5.860 159 HB2 TYR 20 2HB TYR 20 -3.058 -7.866 7.153 160 HB3 TYR 20 1HB TYR 20 -4.769 -8.099 6.817 161 HD1 TYR 20 HD1 TYR 20 -6.119 -9.589 8.227 162 HD2 TYR 20 HD2 TYR 20 -1.979 -8.980 9.006 163 HE1 TYR 20 HE1 TYR 20 -6.400 -10.556 10.473 164 HE2 TYR 20 HE2 TYR 20 -2.248 -9.945 11.245 165 HH TYR 20 HH TYR 20 -3.941 -10.347 12.873 166 H LYS 21 H LYS 21 -5.171 -9.354 4.053 167 HA LYS 21 HA LYS 21 -3.408 -7.712 2.375 168 HB2 LYS 21 2HB LYS 21 -5.024 -8.037 0.605 169 HB3 LYS 21 1HB LYS 21 -4.708 -9.598 1.351 170 HG2 LYS 21 2HG LYS 21 -6.786 -9.377 2.652 171 HG3 LYS 21 1HG LYS 21 -7.105 -7.838 1.853 172 HD2 LYS 21 2HD LYS 21 -7.153 -9.025 -0.325 173 HD3 LYS 21 1HD LYS 21 -6.935 -10.553 0.535 174 HE2 LYS 21 2HE LYS 21 -9.253 -8.635 0.806 175 HE3 LYS 21 1HE LYS 21 -9.287 -10.226 0.046 176 HZ1 LYS 21 3HZ LYS 21 -8.723 -9.717 2.923 177 HZ2 LYS 21 1HZ LYS 21 -8.833 -11.234 2.180 178 HZ3 LYS 21 2HZ LYS 21 -10.199 -10.251 2.299 179 HA PRO 22 HA PRO 22 -5.177 -3.876 3.818 180 HB2 PRO 22 2HB PRO 22 -5.050 -2.487 1.390 181 HB3 PRO 22 1HB PRO 22 -3.767 -2.581 2.598 182 HG2 PRO 22 2HG PRO 22 -4.121 -4.145 0.081 183 HG3 PRO 22 1HG PRO 22 -2.632 -3.538 0.830 184 HD2 PRO 22 2HD PRO 22 -3.330 -6.130 0.987 185 HD3 PRO 22 1HD PRO 22 -2.521 -5.305 2.336 186 H GLN 23 H GLN 23 -7.202 -2.986 3.938 187 HA GLN 23 HA GLN 23 -9.281 -4.375 2.428 188 HB2 GLN 23 2HB GLN 23 -9.487 -2.528 4.826 189 HB3 GLN 23 1HB GLN 23 -10.832 -3.395 4.101 190 HG2 GLN 23 2HG GLN 23 -10.213 -4.614 6.015 191 HG3 GLN 23 1HG GLN 23 -9.614 -5.529 4.636 192 HE21 GLN 23 1HE2 GLN 23 -8.046 -2.638 5.894 193 HE22 GLN 23 2HE2 GLN 23 -6.641 -3.450 6.490 194 H SER 24 H SER 24 -10.685 -3.434 1.028 195 HA SER 24 HA SER 24 -10.039 -0.904 -0.122 196 HB2 SER 24 2HB SER 24 -12.013 -1.284 -1.565 197 HB3 SER 24 1HB SER 24 -10.983 -2.715 -1.484 198 HG SER 24 HG SER 24 -13.444 -2.839 -1.156 199 H LYS 25 H LYS 25 -10.834 1.085 0.273 200 HA LYS 25 HA LYS 25 -13.200 1.359 2.014 201 HB2 LYS 25 2HB LYS 25 -10.568 2.826 2.328 202 HB3 LYS 25 1HB LYS 25 -12.043 3.245 3.188 203 HG2 LYS 25 2HG LYS 25 -10.578 0.615 3.390 204 HG3 LYS 25 1HG LYS 25 -10.537 1.918 4.580 205 HD2 LYS 25 2HD LYS 25 -12.897 1.657 5.022 206 HD3 LYS 25 1HD LYS 25 -13.053 0.477 3.719 207 HE2 LYS 25 2HE LYS 25 -11.585 -1.062 4.929 208 HE3 LYS 25 1HE LYS 25 -11.403 0.121 6.225 209 HZ1 LYS 25 3HZ LYS 25 -13.781 -0.032 6.640 210 HZ2 LYS 25 1HZ LYS 25 -13.047 -1.547 6.790 211 HZ3 LYS 25 2HZ LYS 25 -13.949 -1.174 5.407 212 H LYS 26 H LYS 26 -14.144 3.564 1.996 213 HA LYS 26 HA LYS 26 -13.746 4.923 -0.600 214 HB2 LYS 26 2HB LYS 26 -16.172 5.374 -0.649 215 HB3 LYS 26 1HB LYS 26 -15.821 3.652 -0.662 216 HG2 LYS 26 2HG LYS 26 -16.287 3.588 1.776 217 HG3 LYS 26 1HG LYS 26 -16.765 5.285 1.691 218 HD2 LYS 26 2HD LYS 26 -18.531 4.702 0.087 219 HD3 LYS 26 1HD LYS 26 -18.049 3.008 0.174 220 HE2 LYS 26 2HE LYS 26 -18.577 3.028 2.602 221 HE3 LYS 26 1HE LYS 26 -19.155 4.687 2.430 222 HZ1 LYS 26 3HZ LYS 26 -20.815 3.890 0.854 223 HZ2 LYS 26 1HZ LYS 26 -20.979 3.130 2.355 224 HZ3 LYS 26 2HZ LYS 26 -20.273 2.302 1.060 225 H VAL 27 H VAL 27 -13.580 7.119 -0.572 226 HA VAL 27 HA VAL 27 -14.325 8.602 1.862 227 HB VAL 27 HB VAL 27 -12.226 9.912 1.786 228 HG11 VAL 27 1HG1 VAL 27 -10.739 8.213 2.757 229 HG12 VAL 27 2HG1 VAL 27 -11.798 6.943 2.144 230 HG13 VAL 27 3HG1 VAL 27 -12.388 8.073 3.364 231 HG21 VAL 27 3HG2 VAL 27 -11.319 7.861 -0.244 232 HG22 VAL 27 1HG2 VAL 27 -10.301 9.100 0.494 233 HG23 VAL 27 2HG2 VAL 27 -11.636 9.568 -0.560 234 H LEU 28 H LEU 28 -14.218 11.022 1.484 235 HA LEU 28 HA LEU 28 -15.197 11.707 -1.184 236 HB2 LEU 28 2HB LEU 28 -15.056 13.268 1.401 237 HB3 LEU 28 1HB LEU 28 -15.566 13.986 -0.114 238 HG LEU 28 HG LEU 28 -16.966 11.675 1.254 239 HD11 LEU 28 1HD1 LEU 28 -17.167 13.747 2.542 240 HD12 LEU 28 2HD1 LEU 28 -18.705 13.293 1.808 241 HD13 LEU 28 3HD1 LEU 28 -17.741 14.592 1.102 242 HD21 LEU 28 3HD2 LEU 28 -17.238 11.678 -1.188 243 HD22 LEU 28 1HD2 LEU 28 -17.787 13.354 -1.127 244 HD23 LEU 28 2HD2 LEU 28 -18.745 12.080 -0.370 245 H GLU 29 H GLU 29 -14.367 13.640 -2.282 246 HA GLU 29 HA GLU 29 -11.608 13.627 -2.677 247 HB2 GLU 29 2HB GLU 29 -13.597 15.835 -3.248 248 HB3 GLU 29 1HB GLU 29 -11.956 15.778 -3.882 249 HG2 GLU 29 2HG GLU 29 -12.518 13.645 -5.013 250 HG3 GLU 29 1HG GLU 29 -14.180 13.829 -4.453 251 H GLY 30 H GLY 30 -9.899 14.711 -1.790 252 HA2 GLY 30 2HA GLY 30 -8.820 16.449 -0.618 253 HA3 GLY 30 1HA GLY 30 -10.375 16.976 0.003 254 H ASP 31 H ASP 31 -10.936 14.070 0.778 255 HA ASP 31 HA ASP 31 -9.842 14.233 3.434 256 HB2 ASP 31 2HB ASP 31 -11.597 12.177 2.077 257 HB3 ASP 31 1HB ASP 31 -11.104 12.072 3.767 258 H SER 32 H SER 32 -9.003 12.092 4.438 259 HA SER 32 HA SER 32 -6.859 11.037 2.695 260 HB2 SER 32 2HB SER 32 -5.409 10.889 4.646 261 HB3 SER 32 1HB SER 32 -6.023 12.535 4.504 262 HG SER 32 HG SER 32 -7.355 12.205 6.204 263 H VAL 33 H VAL 33 -6.358 8.874 2.772 264 HA VAL 33 HA VAL 33 -8.003 7.144 4.518 265 HB VAL 33 HB VAL 33 -8.715 7.045 2.113 266 HG11 VAL 33 1HG1 VAL 33 -7.255 5.868 0.509 267 HG12 VAL 33 2HG1 VAL 33 -5.953 5.885 1.703 268 HG13 VAL 33 3HG1 VAL 33 -6.571 7.402 1.046 269 HG21 VAL 33 3HG2 VAL 33 -8.769 4.582 1.981 270 HG22 VAL 33 1HG2 VAL 33 -9.152 5.165 3.600 271 HG23 VAL 33 2HG2 VAL 33 -7.558 4.494 3.261 272 H LYS 34 H LYS 34 -6.979 5.099 5.111 273 HA LYS 34 HA LYS 34 -4.066 5.001 4.736 274 HB2 LYS 34 2HB LYS 34 -3.863 4.329 7.170 275 HB3 LYS 34 1HB LYS 34 -4.255 6.016 6.870 276 HG2 LYS 34 2HG LYS 34 -6.623 5.535 7.340 277 HG3 LYS 34 1HG LYS 34 -6.198 3.859 7.694 278 HD2 LYS 34 2HD LYS 34 -6.430 5.187 9.747 279 HD3 LYS 34 1HD LYS 34 -4.785 4.586 9.545 280 HE2 LYS 34 2HE LYS 34 -4.829 6.922 10.317 281 HE3 LYS 34 1HE LYS 34 -4.060 6.766 8.739 282 HZ1 LYS 34 3HZ LYS 34 -6.880 7.595 9.146 283 HZ2 LYS 34 1HZ LYS 34 -6.026 7.588 7.687 284 HZ3 LYS 34 2HZ LYS 34 -5.597 8.668 8.913 285 H LEU 35 H LEU 35 -3.546 3.129 3.870 286 HA LEU 35 HA LEU 35 -5.241 0.766 4.360 287 HB2 LEU 35 2HB LEU 35 -3.171 1.256 2.204 288 HB3 LEU 35 1HB LEU 35 -4.185 -0.170 2.342 289 HG LEU 35 HG LEU 35 -5.174 2.639 1.803 290 HD11 LEU 35 1HD1 LEU 35 -5.700 1.811 -0.436 291 HD12 LEU 35 2HD1 LEU 35 -4.965 0.257 -0.041 292 HD13 LEU 35 3HD1 LEU 35 -3.970 1.713 -0.104 293 HD21 LEU 35 3HD2 LEU 35 -6.676 0.017 1.906 294 HD22 LEU 35 1HD2 LEU 35 -7.349 1.566 1.391 295 HD23 LEU 35 2HD2 LEU 35 -6.813 1.348 3.057 296 H GLU 36 H GLU 36 -4.506 -0.564 5.906 297 HA GLU 36 HA GLU 36 -1.587 -0.833 6.270 298 HB2 GLU 36 2HB GLU 36 -2.030 -1.146 8.695 299 HB3 GLU 36 1HB GLU 36 -2.487 0.445 8.102 300 HG2 GLU 36 2HG GLU 36 -4.848 -0.356 7.964 301 HG3 GLU 36 1HG GLU 36 -4.331 -1.852 8.741 302 H CYS 37 H CYS 37 -0.726 -2.833 6.662 303 HA CYS 37 HA CYS 37 -2.414 -5.161 7.076 304 HB2 CYS 37 2HB CYS 37 -1.627 -6.353 5.081 305 HB3 CYS 37 1HB CYS 37 -2.506 -4.897 4.634 306 HG CYS 37 HG CYS 37 0.225 -5.805 3.401 307 H GLN 38 H GLN 38 -0.938 -7.231 7.018 308 HA GLN 38 HA GLN 38 1.659 -6.562 8.277 309 HB2 GLN 38 2HB GLN 38 -0.220 -8.835 8.955 310 HB3 GLN 38 1HB GLN 38 1.386 -8.633 9.635 311 HG2 GLN 38 2HG GLN 38 -0.852 -6.641 9.949 312 HG3 GLN 38 1HG GLN 38 -0.461 -7.899 11.119 313 HE21 GLN 38 1HE2 GLN 38 2.429 -7.604 10.694 314 HE22 GLN 38 2HE2 GLN 38 2.870 -6.145 11.495 315 H ILE 39 H ILE 39 3.414 -7.397 7.331 316 HA ILE 39 HA ILE 39 3.161 -9.862 5.711 317 HB ILE 39 HB ILE 39 5.078 -7.562 5.232 318 HG12 ILE 39 2HG1 ILE 39 2.673 -8.447 3.607 319 HG13 ILE 39 1HG1 ILE 39 2.759 -6.995 4.600 320 HG21 ILE 39 1HG2 ILE 39 4.643 -10.099 3.643 321 HG22 ILE 39 2HG2 ILE 39 6.049 -9.725 4.639 322 HG23 ILE 39 3HG2 ILE 39 5.716 -8.772 3.194 323 HD11 ILE 39 3HD1 ILE 39 4.523 -6.116 3.158 324 HD12 ILE 39 1HD1 ILE 39 3.053 -6.476 2.252 325 HD13 ILE 39 2HD1 ILE 39 4.432 -7.571 2.165 326 H SER 40 H SER 40 4.300 -11.531 6.562 327 HA SER 40 HA SER 40 6.399 -10.970 8.534 328 HB2 SER 40 2HB SER 40 4.683 -12.638 9.127 329 HB3 SER 40 1HB SER 40 5.141 -13.614 7.733 330 HG SER 40 HG SER 40 6.102 -13.870 10.085 331 H ALA 41 H ALA 41 8.250 -10.438 7.486 332 HA ALA 41 HA ALA 41 9.484 -12.548 5.837 333 HB1 ALA 41 3HB ALA 41 10.466 -10.884 4.363 334 HB2 ALA 41 1HB ALA 41 9.674 -9.595 5.267 335 HB3 ALA 41 2HB ALA 41 8.706 -10.751 4.354 336 H ILE 42 H ILE 42 11.788 -12.691 5.979 337 HA ILE 42 HA ILE 42 13.140 -10.871 7.850 338 HB ILE 42 HB ILE 42 13.404 -13.887 7.995 339 HG12 ILE 42 2HG1 ILE 42 12.242 -11.915 9.990 340 HG13 ILE 42 1HG1 ILE 42 11.315 -13.052 9.017 341 HG21 ILE 42 1HG2 ILE 42 14.910 -13.469 9.891 342 HG22 ILE 42 2HG2 ILE 42 14.777 -11.731 9.612 343 HG23 ILE 42 3HG2 ILE 42 15.533 -12.764 8.399 344 HD11 ILE 42 3HD1 ILE 42 13.317 -13.771 11.145 345 HD12 ILE 42 1HD1 ILE 42 12.415 -14.914 10.152 346 HD13 ILE 42 2HD1 ILE 42 11.561 -13.861 11.280 347 HA PRO 43 HA PRO 43 14.377 -9.468 7.645 348 HB2 PRO 43 2HB PRO 43 15.570 -7.552 6.198 349 HB3 PRO 43 1HB PRO 43 16.520 -8.715 7.134 350 HG2 PRO 43 2HG PRO 43 15.896 -8.705 4.198 351 HG3 PRO 43 1HG PRO 43 17.443 -9.017 5.007 352 HD2 PRO 43 2HD PRO 43 15.774 -10.995 4.104 353 HD3 PRO 43 1HD PRO 43 16.911 -11.203 5.451 354 HA PRO 44 HA PRO 44 10.777 -7.443 5.864 355 HB2 PRO 44 2HB PRO 44 12.290 -4.859 6.087 356 HB3 PRO 44 1HB PRO 44 10.643 -5.244 6.603 357 HG2 PRO 44 2HG PRO 44 12.589 -5.109 8.393 358 HG3 PRO 44 1HG PRO 44 11.364 -6.388 8.503 359 HD2 PRO 44 2HD PRO 44 14.201 -6.555 7.574 360 HD3 PRO 44 1HD PRO 44 13.235 -7.742 8.475 361 HA PRO 45 HA PRO 45 12.084 -7.099 1.612 362 HB2 PRO 45 2HB PRO 45 9.718 -7.405 0.436 363 HB3 PRO 45 1HB PRO 45 10.406 -8.701 1.422 364 HG2 PRO 45 2HG PRO 45 8.267 -6.724 2.121 365 HG3 PRO 45 1HG PRO 45 8.358 -8.454 2.498 366 HD2 PRO 45 2HD PRO 45 9.065 -6.378 4.229 367 HD3 PRO 45 1HD PRO 45 9.557 -8.072 4.395 368 H LYS 46 H LYS 46 11.674 -5.864 -0.390 369 HA LYS 46 HA LYS 46 11.167 -3.058 0.101 370 HB2 LYS 46 2HB LYS 46 12.972 -3.850 -1.426 371 HB3 LYS 46 1HB LYS 46 11.742 -4.493 -2.506 372 HG2 LYS 46 2HG LYS 46 12.526 -2.387 -3.352 373 HG3 LYS 46 1HG LYS 46 10.853 -2.212 -2.817 374 HD2 LYS 46 2HD LYS 46 11.635 -1.196 -0.718 375 HD3 LYS 46 1HD LYS 46 13.307 -1.377 -1.254 376 HE2 LYS 46 2HE LYS 46 12.815 0.084 -3.183 377 HE3 LYS 46 1HE LYS 46 11.177 0.311 -2.574 378 HZ1 LYS 46 3HZ LYS 46 12.580 2.149 -1.939 379 HZ2 LYS 46 1HZ LYS 46 13.683 1.104 -1.188 380 HZ3 LYS 46 2HZ LYS 46 12.123 1.289 -0.559 381 H LEU 47 H LEU 47 9.271 -2.025 -0.183 382 HA LEU 47 HA LEU 47 6.985 -3.548 -1.201 383 HB2 LEU 47 2HB LEU 47 7.077 -0.867 0.196 384 HB3 LEU 47 1HB LEU 47 5.626 -1.776 -0.187 385 HG LEU 47 HG LEU 47 7.788 -2.689 1.724 386 HD11 LEU 47 1HD1 LEU 47 6.162 -2.213 3.481 387 HD12 LEU 47 2HD1 LEU 47 5.038 -1.574 2.280 388 HD13 LEU 47 3HD1 LEU 47 6.570 -0.754 2.579 389 HD21 LEU 47 3HD2 LEU 47 6.187 -4.434 2.348 390 HD22 LEU 47 1HD2 LEU 47 6.621 -4.549 0.641 391 HD23 LEU 47 2HD2 LEU 47 5.066 -3.858 1.112 392 H PHE 48 H PHE 48 5.884 -3.083 -3.032 393 HA PHE 48 HA PHE 48 6.370 -0.508 -4.391 394 HB2 PHE 48 2HB PHE 48 6.196 -3.238 -5.696 395 HB3 PHE 48 1HB PHE 48 6.196 -1.713 -6.575 396 HD1 PHE 48 HD1 PHE 48 8.219 -0.189 -6.326 397 HD2 PHE 48 HD2 PHE 48 8.209 -4.273 -5.099 398 HE1 PHE 48 HE1 PHE 48 10.678 -0.212 -6.384 399 HE2 PHE 48 HE2 PHE 48 10.664 -4.294 -5.161 400 HZ PHE 48 HZ PHE 48 11.901 -2.268 -5.795 401 H TRP 49 H TRP 49 4.516 0.598 -4.495 402 HA TRP 49 HA TRP 49 1.966 -0.863 -4.780 403 HB2 TRP 49 2HB TRP 49 2.577 1.899 -3.700 404 HB3 TRP 49 1HB TRP 49 0.942 1.357 -4.060 405 HD1 TRP 49 HD1 TRP 49 3.864 0.589 -1.655 406 HE1 TRP 49 HE1 TRP 49 2.892 -0.532 0.448 407 HE3 TRP 49 HE3 TRP 49 -0.990 0.062 -3.180 408 HZ2 TRP 49 HZ2 TRP 49 0.397 -1.508 1.348 409 HZ3 TRP 49 HZ3 TRP 49 -2.605 -0.976 -1.637 410 HH2 TRP 49 HH2 TRP 49 -1.923 -1.744 0.580 411 H LYS 50 H LYS 50 0.863 -0.711 -6.657 412 HA LYS 50 HA LYS 50 1.485 1.553 -8.459 413 HB2 LYS 50 2HB LYS 50 2.345 -0.616 -9.296 414 HB3 LYS 50 1HB LYS 50 0.713 -1.270 -9.250 415 HG2 LYS 50 2HG LYS 50 -0.006 0.246 -10.972 416 HG3 LYS 50 1HG LYS 50 1.542 1.093 -10.937 417 HD2 LYS 50 2HD LYS 50 1.104 -1.784 -11.773 418 HD3 LYS 50 1HD LYS 50 1.404 -0.428 -12.858 419 HE2 LYS 50 2HE LYS 50 3.601 -0.091 -11.682 420 HE3 LYS 50 1HE LYS 50 3.296 -1.594 -10.813 421 HZ1 LYS 50 3HZ LYS 50 4.672 -2.062 -12.684 422 HZ2 LYS 50 1HZ LYS 50 3.624 -1.264 -13.743 423 HZ3 LYS 50 2HZ LYS 50 3.144 -2.705 -13.010 424 H ARG 51 H ARG 51 -0.187 2.810 -9.010 425 HA ARG 51 HA ARG 51 -2.911 1.968 -8.236 426 HB2 ARG 51 2HB ARG 51 -2.133 3.896 -6.998 427 HB3 ARG 51 1HB ARG 51 -1.660 4.716 -8.480 428 HG2 ARG 51 2HG ARG 51 -4.093 4.710 -9.144 429 HG3 ARG 51 1HG ARG 51 -4.457 4.117 -7.522 430 HD2 ARG 51 2HD ARG 51 -4.753 6.510 -7.561 431 HD3 ARG 51 1HD ARG 51 -3.335 6.132 -6.585 432 HE ARG 51 HE ARG 51 -2.347 6.599 -9.089 433 HH11 ARG 51 1HH1 ARG 51 -4.193 8.384 -6.805 434 HH12 ARG 51 2HH1 ARG 51 -3.675 9.917 -7.418 435 HH21 ARG 51 1HH2 ARG 51 -1.660 8.588 -9.848 436 HH22 ARG 51 2HH2 ARG 51 -2.271 10.027 -9.108 437 H ASN 52 H ASN 52 -4.181 1.408 -9.925 438 HA ASN 52 HA ASN 52 -5.245 1.457 -11.946 439 HB2 ASN 52 2HB ASN 52 -5.760 3.769 -11.090 440 HB3 ASN 52 1HB ASN 52 -4.378 4.367 -11.996 441 HD21 ASN 52 1HD2 ASN 52 -7.558 2.945 -12.255 442 HD22 ASN 52 2HD2 ASN 52 -7.855 3.460 -13.876 443 H ASN 53 H ASN 53 -2.600 0.540 -11.952 444 HA ASN 53 HA ASN 53 -1.027 -0.205 -13.394 445 HB2 ASN 53 2HB ASN 53 -2.513 1.370 -15.511 446 HB3 ASN 53 1HB ASN 53 -1.238 0.193 -15.820 447 HD21 ASN 53 1HD2 ASN 53 -4.005 0.164 -16.700 448 HD22 ASN 53 2HD2 ASN 53 -4.688 -1.300 -16.090 449 H GLU 54 H GLU 54 -1.328 2.900 -12.427 450 HA GLU 54 HA GLU 54 1.329 3.655 -13.479 451 HB2 GLU 54 2HB GLU 54 -0.870 5.376 -12.308 452 HB3 GLU 54 1HB GLU 54 0.730 5.969 -12.726 453 HG2 GLU 54 2HG GLU 54 0.314 5.321 -15.080 454 HG3 GLU 54 1HG GLU 54 -1.325 4.850 -14.624 455 H MET 55 H MET 55 2.990 3.447 -12.065 456 HA MET 55 HA MET 55 2.667 2.553 -9.430 457 HB2 MET 55 2HB MET 55 4.710 2.113 -10.605 458 HB3 MET 55 1HB MET 55 5.047 3.829 -10.778 459 HG2 MET 55 2HG MET 55 5.564 4.067 -8.491 460 HG3 MET 55 1HG MET 55 4.852 2.506 -8.086 461 HE1 MET 55 3HE MET 55 5.982 0.225 -8.394 462 HE2 MET 55 1HE MET 55 7.429 -0.052 -9.367 463 HE3 MET 55 2HE MET 55 5.933 0.476 -10.139 464 H VAL 56 H VAL 56 2.710 3.496 -7.433 465 HA VAL 56 HA VAL 56 1.693 6.169 -7.289 466 HB VAL 56 HB VAL 56 2.552 4.377 -5.004 467 HG11 VAL 56 1HG1 VAL 56 0.633 6.714 -5.082 468 HG12 VAL 56 2HG1 VAL 56 2.233 6.699 -4.337 469 HG13 VAL 56 3HG1 VAL 56 0.948 5.686 -3.681 470 HG21 VAL 56 3HG2 VAL 56 0.955 3.201 -6.419 471 HG22 VAL 56 1HG2 VAL 56 -0.146 4.579 -6.357 472 HG23 VAL 56 2HG2 VAL 56 0.201 3.661 -4.892 473 H GLN 57 H GLN 57 2.799 8.005 -7.073 474 HA GLN 57 HA GLN 57 5.667 7.930 -6.505 475 HB2 GLN 57 2HB GLN 57 5.565 10.352 -7.236 476 HB3 GLN 57 1HB GLN 57 5.148 9.166 -8.463 477 HG2 GLN 57 2HG GLN 57 2.758 9.604 -8.046 478 HG3 GLN 57 1HG GLN 57 3.207 10.832 -6.865 479 HE21 GLN 57 1HE2 GLN 57 3.143 9.999 -10.247 480 HE22 GLN 57 2HE2 GLN 57 3.392 11.605 -10.841 481 H PHE 58 H PHE 58 6.408 8.304 -4.515 482 HA PHE 58 HA PHE 58 4.618 9.472 -2.500 483 HB2 PHE 58 2HB PHE 58 7.303 8.117 -2.125 484 HB3 PHE 58 1HB PHE 58 6.144 8.519 -0.859 485 HD1 PHE 58 HD1 PHE 58 3.802 7.432 -1.053 486 HD2 PHE 58 HD2 PHE 58 7.252 6.009 -3.108 487 HE1 PHE 58 HE1 PHE 58 2.728 5.240 -1.334 488 HE2 PHE 58 HE2 PHE 58 6.178 3.812 -3.388 489 HZ PHE 58 HZ PHE 58 3.913 3.425 -2.503 490 H ASN 59 H ASN 59 6.175 11.029 -4.559 491 HA ASN 59 HA ASN 59 8.312 12.437 -3.408 492 HB2 ASN 59 2HB ASN 59 8.100 13.951 -5.279 493 HB3 ASN 59 1HB ASN 59 7.796 12.309 -5.833 494 HD21 ASN 59 1HD2 ASN 59 5.040 12.356 -4.636 495 HD22 ASN 59 2HD2 ASN 59 4.111 13.312 -5.726 496 H THR 60 H THR 60 5.349 12.567 -2.062 497 HA THR 60 HA THR 60 5.673 15.341 -1.171 498 HB THR 60 HB THR 60 4.147 15.715 -2.969 499 HG1 THR 60 HG1 THR 60 3.381 16.886 -1.281 500 HG21 THR 60 3HG2 THR 60 2.476 13.445 -1.875 501 HG22 THR 60 1HG2 THR 60 3.442 13.398 -3.351 502 HG23 THR 60 2HG2 THR 60 2.050 14.474 -3.241 503 H ASP 61 H ASP 61 4.176 15.899 0.657 504 HA ASP 61 HA ASP 61 4.106 13.840 2.629 505 HB2 ASP 61 2HB ASP 61 4.393 16.180 3.270 506 HB3 ASP 61 1HB ASP 61 2.810 16.583 2.607 507 H ARG 62 H ARG 62 1.821 15.007 0.281 508 HA ARG 62 HA ARG 62 -0.528 14.016 1.572 509 HB2 ARG 62 2HB ARG 62 -0.117 14.726 -1.345 510 HB3 ARG 62 1HB ARG 62 -1.669 14.488 -0.547 511 HG2 ARG 62 2HG ARG 62 -1.017 16.373 1.014 512 HG3 ARG 62 1HG ARG 62 0.330 16.692 -0.078 513 HD2 ARG 62 2HD ARG 62 -2.607 16.765 -0.776 514 HD3 ARG 62 1HD ARG 62 -1.548 18.158 -0.568 515 HE ARG 62 HE ARG 62 -1.179 16.172 -2.724 516 HH11 ARG 62 1HH1 ARG 62 -1.286 19.431 -1.608 517 HH12 ARG 62 2HH1 ARG 62 -0.933 20.090 -3.165 518 HH21 ARG 62 1HH2 ARG 62 -0.755 17.031 -4.713 519 HH22 ARG 62 2HH2 ARG 62 -0.648 18.749 -4.903 520 H ILE 63 H ILE 63 1.884 12.554 -0.439 521 HA ILE 63 HA ILE 63 0.371 10.014 -0.269 522 HB ILE 63 HB ILE 63 2.394 10.778 -2.399 523 HG12 ILE 63 2HG1 ILE 63 0.232 11.917 -2.721 524 HG13 ILE 63 1HG1 ILE 63 0.506 10.712 -3.972 525 HG21 ILE 63 1HG2 ILE 63 1.798 8.639 -3.449 526 HG22 ILE 63 2HG2 ILE 63 0.767 8.255 -2.070 527 HG23 ILE 63 3HG2 ILE 63 2.510 8.414 -1.852 528 HD11 ILE 63 3HD1 ILE 63 -1.798 10.688 -3.222 529 HD12 ILE 63 1HD1 ILE 63 -1.276 10.391 -1.564 530 HD13 ILE 63 2HD1 ILE 63 -0.997 9.172 -2.807 531 H SER 64 H SER 64 1.346 8.497 1.005 532 HA SER 64 HA SER 64 4.245 8.595 1.417 533 HB2 SER 64 2HB SER 64 2.277 8.948 3.698 534 HB3 SER 64 1HB SER 64 4.009 8.686 3.890 535 HG SER 64 HG SER 64 3.383 10.756 2.190 536 H LEU 65 H LEU 65 5.165 6.751 2.297 537 HA LEU 65 HA LEU 65 3.429 4.498 3.016 538 HB2 LEU 65 2HB LEU 65 3.883 4.190 0.645 539 HB3 LEU 65 1HB LEU 65 5.603 4.402 0.918 540 HG LEU 65 HG LEU 65 5.578 2.309 2.305 541 HD11 LEU 65 1HD1 LEU 65 3.222 2.280 2.904 542 HD12 LEU 65 2HD1 LEU 65 3.681 0.786 2.087 543 HD13 LEU 65 3HD1 LEU 65 2.777 2.026 1.213 544 HD21 LEU 65 3HD2 LEU 65 5.469 0.782 0.386 545 HD22 LEU 65 1HD2 LEU 65 6.336 2.267 -0.004 546 HD23 LEU 65 2HD2 LEU 65 4.681 2.041 -0.568 547 H TYR 66 H TYR 66 4.180 3.483 4.813 548 HA TYR 66 HA TYR 66 7.069 3.304 5.223 549 HB2 TYR 66 2HB TYR 66 6.963 3.996 7.559 550 HB3 TYR 66 1HB TYR 66 6.406 5.285 6.505 551 HD1 TYR 66 HD2 TYR 66 4.003 5.892 6.441 552 HD2 TYR 66 HD1 TYR 66 5.489 2.980 9.176 553 HE1 TYR 66 HE2 TYR 66 1.958 6.112 7.783 554 HE2 TYR 66 HE1 TYR 66 3.446 3.196 10.526 555 HH TYR 66 HH TYR 66 1.661 4.750 10.932 556 H GLN 67 H GLN 67 7.767 1.556 6.489 557 HA GLN 67 HA GLN 67 5.686 -0.314 7.430 558 HB2 GLN 67 2HB GLN 67 7.028 -2.219 6.659 559 HB3 GLN 67 1HB GLN 67 6.558 -1.191 5.313 560 HG2 GLN 67 2HG GLN 67 8.736 -0.339 5.056 561 HG3 GLN 67 1HG GLN 67 9.238 -0.921 6.641 562 HE21 GLN 67 1HE2 GLN 67 8.666 -1.800 3.330 563 HE22 GLN 67 2HE2 GLN 67 9.395 -3.362 3.417 564 H ASP 68 H ASP 68 6.049 -1.226 9.405 565 HA ASP 68 HA ASP 68 8.460 -0.376 10.853 566 HB2 ASP 68 2HB ASP 68 6.234 0.075 11.862 567 HB3 ASP 68 1HB ASP 68 5.927 -1.659 11.921 568 H ASN 69 H ASN 69 9.577 -1.907 12.275 569 HA ASN 69 HA ASN 69 10.488 -4.192 10.969 570 HB2 ASN 69 2HB ASN 69 11.729 -2.988 12.732 571 HB3 ASN 69 1HB ASN 69 10.593 -3.586 13.936 572 HD21 ASN 69 1HD2 ASN 69 13.240 -4.388 11.850 573 HD22 ASN 69 2HD2 ASN 69 13.584 -5.928 12.554 574 H THR 70 H THR 70 7.736 -3.828 13.089 575 HA THR 70 HA THR 70 7.395 -6.592 13.729 576 HB THR 70 HB THR 70 6.321 -4.792 15.060 577 HG1 THR 70 HG1 THR 70 5.276 -7.114 14.355 578 HG21 THR 70 3HG2 THR 70 4.271 -3.725 14.240 579 HG22 THR 70 1HG2 THR 70 4.477 -4.511 12.675 580 HG23 THR 70 2HG2 THR 70 5.648 -3.311 13.220 581 H GLY 71 H GLY 71 7.204 -5.125 10.782 582 HA2 GLY 71 2HA GLY 71 6.600 -6.129 8.765 583 HA3 GLY 71 1HA GLY 71 5.661 -7.317 9.653 584 H ARG 72 H ARG 72 5.102 -3.994 10.439 585 HA ARG 72 HA ARG 72 2.427 -4.217 9.283 586 HB2 ARG 72 2HB ARG 72 2.694 -3.488 11.650 587 HB3 ARG 72 1HB ARG 72 3.526 -2.043 11.085 588 HG2 ARG 72 2HG ARG 72 1.493 -1.395 9.834 589 HG3 ARG 72 1HG ARG 72 0.669 -2.814 10.475 590 HD2 ARG 72 2HD ARG 72 1.044 -1.937 12.768 591 HD3 ARG 72 1HD ARG 72 1.752 -0.483 12.065 592 HE ARG 72 HE ARG 72 -1.062 -1.313 11.736 593 HH11 ARG 72 1HH1 ARG 72 1.338 1.156 11.913 594 HH12 ARG 72 2HH1 ARG 72 0.189 2.433 11.751 595 HH21 ARG 72 1HH2 ARG 72 -2.526 0.338 11.549 596 HH22 ARG 72 2HH2 ARG 72 -1.970 1.978 11.557 597 H VAL 73 H VAL 73 2.170 -3.554 7.267 598 HA VAL 73 HA VAL 73 3.722 -1.313 6.188 599 HB VAL 73 HB VAL 73 1.762 -3.184 4.825 600 HG11 VAL 73 1HG1 VAL 73 3.608 -1.111 3.627 601 HG12 VAL 73 2HG1 VAL 73 1.847 -1.031 3.689 602 HG13 VAL 73 3HG1 VAL 73 2.637 -2.271 2.716 603 HG21 VAL 73 3HG2 VAL 73 3.748 -4.212 3.816 604 HG22 VAL 73 1HG2 VAL 73 3.783 -4.335 5.577 605 HG23 VAL 73 2HG2 VAL 73 4.785 -3.137 4.757 606 H THR 74 H THR 74 2.844 0.694 5.798 607 HA THR 74 HA THR 74 -0.090 0.981 5.894 608 HB THR 74 HB THR 74 1.822 2.770 7.423 609 HG1 THR 74 HG1 THR 74 0.554 0.478 8.102 610 HG21 THR 74 3HG2 THR 74 -0.221 3.856 8.266 611 HG22 THR 74 1HG2 THR 74 -1.199 2.846 7.204 612 HG23 THR 74 2HG2 THR 74 -0.080 4.023 6.517 613 H LEU 75 H LEU 75 -0.759 1.913 4.101 614 HA LEU 75 HA LEU 75 0.934 3.859 2.686 615 HB2 LEU 75 2HB LEU 75 0.088 1.971 1.370 616 HB3 LEU 75 1HB LEU 75 -1.559 2.383 1.807 617 HG LEU 75 HG LEU 75 -1.279 4.560 0.593 618 HD11 LEU 75 1HD1 LEU 75 0.588 4.791 -0.975 619 HD12 LEU 75 2HD1 LEU 75 1.310 3.316 -0.330 620 HD13 LEU 75 3HD1 LEU 75 1.143 4.737 0.699 621 HD21 LEU 75 3HD2 LEU 75 -0.843 2.065 -1.055 622 HD22 LEU 75 1HD2 LEU 75 -1.474 3.602 -1.651 623 HD23 LEU 75 2HD2 LEU 75 -2.395 2.667 -0.473 624 H LEU 76 H LEU 76 0.511 5.966 2.945 625 HA LEU 76 HA LEU 76 -2.132 6.792 3.971 626 HB2 LEU 76 2HB LEU 76 0.511 8.269 4.059 627 HB3 LEU 76 1HB LEU 76 -0.999 8.834 4.749 628 HG LEU 76 HG LEU 76 0.566 6.409 5.654 629 HD11 LEU 76 1HD1 LEU 76 0.962 7.713 7.689 630 HD12 LEU 76 2HD1 LEU 76 0.121 9.089 6.974 631 HD13 LEU 76 3HD1 LEU 76 1.632 8.513 6.269 632 HD21 LEU 76 3HD2 LEU 76 -1.069 6.284 7.482 633 HD22 LEU 76 1HD2 LEU 76 -1.829 6.045 5.911 634 HD23 LEU 76 2HD2 LEU 76 -1.994 7.591 6.743 635 H ILE 77 H ILE 77 -3.462 7.693 2.545 636 HA ILE 77 HA ILE 77 -2.330 9.302 0.331 637 HB ILE 77 HB ILE 77 -4.917 7.729 0.300 638 HG12 ILE 77 2HG1 ILE 77 -2.307 7.175 -1.148 639 HG13 ILE 77 1HG1 ILE 77 -2.886 6.292 0.262 640 HG21 ILE 77 1HG2 ILE 77 -5.033 9.739 -1.079 641 HG22 ILE 77 2HG2 ILE 77 -4.989 8.295 -2.090 642 HG23 ILE 77 3HG2 ILE 77 -3.538 9.281 -1.897 643 HD11 ILE 77 3HD1 ILE 77 -3.302 5.044 -1.752 644 HD12 ILE 77 1HD1 ILE 77 -4.199 6.397 -2.441 645 HD13 ILE 77 2HD1 ILE 77 -4.830 5.547 -1.030 646 H LYS 78 H LYS 78 -2.700 11.397 0.652 647 HA LYS 78 HA LYS 78 -5.080 12.267 2.177 648 HB2 LYS 78 2HB LYS 78 -2.498 13.798 1.788 649 HB3 LYS 78 1HB LYS 78 -3.810 14.192 2.890 650 HG2 LYS 78 2HG LYS 78 -3.292 12.225 4.235 651 HG3 LYS 78 1HG LYS 78 -2.005 11.782 3.108 652 HD2 LYS 78 2HD LYS 78 -0.906 13.973 3.602 653 HD3 LYS 78 1HD LYS 78 -2.136 14.264 4.834 654 HE2 LYS 78 2HE LYS 78 -1.409 12.242 6.024 655 HE3 LYS 78 1HE LYS 78 -0.178 11.960 4.792 656 HZ1 LYS 78 3HZ LYS 78 0.816 13.023 6.674 657 HZ2 LYS 78 1HZ LYS 78 -0.326 14.269 6.651 658 HZ3 LYS 78 2HZ LYS 78 0.795 14.131 5.393 659 H ASP 79 H ASP 79 -6.183 14.184 1.470 660 HA ASP 79 HA ASP 79 -7.035 15.702 -0.000 661 HB2 ASP 79 2HB ASP 79 -4.760 16.649 0.414 662 HB3 ASP 79 1HB ASP 79 -4.184 15.815 -1.024 663 H VAL 80 H VAL 80 -6.931 12.836 -0.834 664 HA VAL 80 HA VAL 80 -6.355 12.686 -3.628 665 HB VAL 80 HB VAL 80 -6.364 10.741 -1.995 666 HG11 VAL 80 1HG1 VAL 80 -9.339 10.839 -2.465 667 HG12 VAL 80 2HG1 VAL 80 -8.530 11.210 -0.940 668 HG13 VAL 80 3HG1 VAL 80 -8.463 9.576 -1.602 669 HG21 VAL 80 3HG2 VAL 80 -7.944 10.397 -4.548 670 HG22 VAL 80 1HG2 VAL 80 -7.141 9.109 -3.649 671 HG23 VAL 80 2HG2 VAL 80 -6.186 10.386 -4.403 672 H ASN 81 H ASN 81 -7.740 12.736 -5.407 673 HA ASN 81 HA ASN 81 -10.551 13.479 -4.871 674 HB2 ASN 81 2HB ASN 81 -10.372 14.813 -7.066 675 HB3 ASN 81 1HB ASN 81 -9.612 15.487 -5.628 676 HD21 ASN 81 1HD2 ASN 81 -9.077 14.046 -8.731 677 HD22 ASN 81 2HD2 ASN 81 -7.381 14.366 -8.807 678 H LYS 82 H LYS 82 -11.785 13.355 -7.177 679 HA LYS 82 HA LYS 82 -12.396 10.696 -7.491 680 HB2 LYS 82 2HB LYS 82 -12.762 12.986 -9.420 681 HB3 LYS 82 1HB LYS 82 -13.474 11.398 -9.674 682 HG2 LYS 82 2HG LYS 82 -13.980 13.129 -7.255 683 HG3 LYS 82 1HG LYS 82 -15.034 13.043 -8.669 684 HD2 LYS 82 2HD LYS 82 -14.274 10.632 -7.017 685 HD3 LYS 82 1HD LYS 82 -15.712 11.607 -6.701 686 HE2 LYS 82 2HE LYS 82 -16.651 11.060 -8.815 687 HE3 LYS 82 1HE LYS 82 -15.144 10.332 -9.376 688 HZ1 LYS 82 3HZ LYS 82 -16.840 9.279 -7.170 689 HZ2 LYS 82 1HZ LYS 82 -15.417 8.575 -7.752 690 HZ3 LYS 82 2HZ LYS 82 -16.785 8.666 -8.740 691 H LYS 83 H LYS 83 -10.296 12.566 -9.705 692 HA LYS 83 HA LYS 83 -9.801 10.414 -11.479 693 HB2 LYS 83 2HB LYS 83 -8.190 12.931 -11.002 694 HB3 LYS 83 1HB LYS 83 -7.983 11.844 -12.370 695 HG2 LYS 83 2HG LYS 83 -10.466 13.442 -11.735 696 HG3 LYS 83 1HG LYS 83 -9.279 13.815 -12.987 697 HD2 LYS 83 2HD LYS 83 -9.813 11.662 -14.090 698 HD3 LYS 83 1HD LYS 83 -11.045 11.358 -12.860 699 HE2 LYS 83 2HE LYS 83 -12.252 13.364 -13.568 700 HE3 LYS 83 1HE LYS 83 -11.012 13.698 -14.775 701 HZ1 LYS 83 3HZ LYS 83 -12.915 12.634 -15.775 702 HZ2 LYS 83 1HZ LYS 83 -12.790 11.324 -14.719 703 HZ3 LYS 83 2HZ LYS 83 -11.580 11.602 -15.861 704 H ASP 84 H ASP 84 -8.561 10.954 -8.353 705 HA ASP 84 HA ASP 84 -6.086 9.483 -8.871 706 HB2 ASP 84 2HB ASP 84 -7.104 10.975 -6.442 707 HB3 ASP 84 1HB ASP 84 -5.654 9.969 -6.412 708 H ALA 85 H ALA 85 -9.206 8.598 -8.251 709 HA ALA 85 HA ALA 85 -8.651 6.490 -6.331 710 HB1 ALA 85 3HB ALA 85 -10.977 5.849 -6.657 711 HB2 ALA 85 1HB ALA 85 -11.109 6.947 -8.032 712 HB3 ALA 85 2HB ALA 85 -10.854 7.590 -6.411 713 H GLY 86 H GLY 86 -8.535 4.259 -6.775 714 HA2 GLY 86 2HA GLY 86 -8.918 3.065 -9.292 715 HA3 GLY 86 1HA GLY 86 -7.232 3.537 -9.173 716 H TRP 87 H TRP 87 -7.261 1.063 -9.524 717 HA TRP 87 HA TRP 87 -7.370 -0.391 -6.994 718 HB2 TRP 87 2HB TRP 87 -6.912 -1.212 -9.856 719 HB3 TRP 87 1HB TRP 87 -6.528 -2.307 -8.531 720 HD1 TRP 87 HD1 TRP 87 -9.584 -0.430 -10.004 721 HE1 TRP 87 HE1 TRP 87 -11.698 -1.775 -9.406 722 HE3 TRP 87 HE3 TRP 87 -7.446 -4.015 -7.060 723 HZ2 TRP 87 HZ2 TRP 87 -12.365 -4.064 -7.885 724 HZ3 TRP 87 HZ3 TRP 87 -8.889 -5.744 -6.070 725 HH2 TRP 87 HH2 TRP 87 -11.292 -5.767 -6.473 726 H TYR 88 H TYR 88 -5.684 -0.639 -5.711 727 HA TYR 88 HA TYR 88 -3.003 0.112 -6.640 728 HB2 TYR 88 2HB TYR 88 -4.091 -0.258 -3.833 729 HB3 TYR 88 1HB TYR 88 -2.448 0.241 -4.223 730 HD1 TYR 88 HD1 TYR 88 -5.992 1.258 -4.885 731 HD2 TYR 88 HD2 TYR 88 -1.968 2.520 -4.262 732 HE1 TYR 88 HE1 TYR 88 -6.726 3.602 -4.927 733 HE2 TYR 88 HE2 TYR 88 -2.699 4.867 -4.301 734 HH TYR 88 HH TYR 88 -6.021 5.761 -4.191 735 H THR 89 H THR 89 -1.819 -1.546 -7.353 736 HA THR 89 HA THR 89 -2.108 -4.209 -6.142 737 HB THR 89 HB THR 89 -0.618 -3.383 -8.655 738 HG1 THR 89 HG1 THR 89 -2.570 -3.463 -9.481 739 HG21 THR 89 3HG2 THR 89 -1.258 -6.144 -7.589 740 HG22 THR 89 1HG2 THR 89 0.340 -5.394 -7.603 741 HG23 THR 89 2HG2 THR 89 -0.464 -5.781 -9.123 742 H VAL 90 H VAL 90 -0.777 -4.675 -4.513 743 HA VAL 90 HA VAL 90 1.785 -3.245 -4.288 744 HB VAL 90 HB VAL 90 0.314 -2.941 -2.382 745 HG11 VAL 90 1HG1 VAL 90 0.379 -5.945 -2.060 746 HG12 VAL 90 2HG1 VAL 90 -1.007 -4.988 -2.584 747 HG13 VAL 90 3HG1 VAL 90 -0.374 -4.801 -0.948 748 HG21 VAL 90 3HG2 VAL 90 2.632 -4.757 -1.673 749 HG22 VAL 90 1HG2 VAL 90 1.821 -3.637 -0.577 750 HG23 VAL 90 2HG2 VAL 90 2.730 -3.018 -1.956 751 H SER 91 H SER 91 3.715 -4.262 -4.189 752 HA SER 91 HA SER 91 3.792 -7.204 -3.985 753 HB2 SER 91 2HB SER 91 5.350 -5.495 -5.945 754 HB3 SER 91 1HB SER 91 5.685 -7.198 -5.637 755 HG SER 91 HG SER 91 3.506 -7.627 -6.318 756 H ALA 92 H ALA 92 5.324 -8.002 -2.651 757 HA ALA 92 HA ALA 92 7.341 -6.137 -1.550 758 HB1 ALA 92 3HB ALA 92 5.650 -6.747 0.108 759 HB2 ALA 92 1HB ALA 92 7.227 -7.408 0.539 760 HB3 ALA 92 2HB ALA 92 5.992 -8.457 -0.158 761 H VAL 93 H VAL 93 9.349 -6.633 -2.240 762 HA VAL 93 HA VAL 93 9.922 -9.443 -2.940 763 HB VAL 93 HB VAL 93 10.059 -8.015 -4.869 764 HG11 VAL 93 1HG1 VAL 93 10.460 -5.877 -3.761 765 HG12 VAL 93 2HG1 VAL 93 11.634 -6.158 -5.047 766 HG13 VAL 93 3HG1 VAL 93 12.103 -6.381 -3.362 767 HG21 VAL 93 3HG2 VAL 93 11.662 -9.853 -4.746 768 HG22 VAL 93 1HG2 VAL 93 12.827 -8.802 -3.936 769 HG23 VAL 93 2HG2 VAL 93 12.354 -8.475 -5.604 770 H ASN 94 H ASN 94 11.088 -10.492 -1.543 771 HA ASN 94 HA ASN 94 13.313 -9.177 -0.103 772 HB2 ASN 94 2HB ASN 94 11.555 -10.157 1.345 773 HB3 ASN 94 1HB ASN 94 11.768 -11.711 0.557 774 HD21 ASN 94 1HD2 ASN 94 12.024 -10.953 3.366 775 HD22 ASN 94 2HD2 ASN 94 13.611 -11.427 3.839 776 H GLU 95 H GLU 95 15.352 -10.281 -0.073 777 HA GLU 95 HA GLU 95 16.235 -11.445 -2.426 778 HB2 GLU 95 2HB GLU 95 18.240 -12.141 -1.174 779 HB3 GLU 95 1HB GLU 95 17.768 -10.492 -0.789 780 HG2 GLU 95 2HG GLU 95 16.775 -11.235 1.303 781 HG3 GLU 95 1HG GLU 95 17.169 -12.910 0.916 782 H ALA 96 H ALA 96 14.764 -12.986 0.350 783 HA ALA 96 HA ALA 96 15.292 -15.689 -0.405 784 HB1 ALA 96 3HB ALA 96 13.121 -14.586 1.379 785 HB2 ALA 96 1HB ALA 96 14.741 -15.063 1.891 786 HB3 ALA 96 2HB ALA 96 13.619 -16.274 1.274 787 H GLY 97 H GLY 97 12.634 -13.445 -1.108 788 HA2 GLY 97 2HA GLY 97 11.749 -14.751 -3.417 789 HA3 GLY 97 1HA GLY 97 10.785 -15.365 -2.084 790 H VAL 98 H VAL 98 9.216 -14.262 -3.799 791 HA VAL 98 HA VAL 98 8.740 -11.488 -2.887 792 HB VAL 98 HB VAL 98 9.722 -11.465 -5.149 793 HG11 VAL 98 1HG1 VAL 98 7.276 -13.037 -5.976 794 HG12 VAL 98 2HG1 VAL 98 8.937 -13.629 -5.947 795 HG13 VAL 98 3HG1 VAL 98 8.480 -12.348 -7.068 796 HG21 VAL 98 3HG2 VAL 98 8.187 -9.678 -4.522 797 HG22 VAL 98 1HG2 VAL 98 6.815 -10.631 -5.094 798 HG23 VAL 98 2HG2 VAL 98 8.029 -10.055 -6.237 799 H THR 99 H THR 99 6.560 -10.775 -2.855 800 HA THR 99 HA THR 99 4.437 -12.721 -3.439 801 HB THR 99 HB THR 99 4.842 -13.085 -1.078 802 HG1 THR 99 HG1 THR 99 2.766 -12.901 -0.486 803 HG21 THR 99 3HG2 THR 99 5.931 -10.966 -0.516 804 HG22 THR 99 1HG2 THR 99 4.586 -11.286 0.578 805 HG23 THR 99 2HG2 THR 99 4.401 -10.114 -0.726 806 H THR 100 H THR 100 2.421 -11.798 -3.982 807 HA THR 100 HA THR 100 2.336 -8.841 -4.142 808 HB THR 100 HB THR 100 1.615 -10.746 -6.392 809 HG1 THR 100 HG1 THR 100 3.854 -10.437 -6.252 810 HG21 THR 100 3HG2 THR 100 0.105 -8.815 -6.370 811 HG22 THR 100 1HG2 THR 100 1.224 -8.709 -7.729 812 HG23 THR 100 2HG2 THR 100 1.487 -7.720 -6.292 813 H CYS 101 H CYS 101 0.266 -7.878 -4.155 814 HA CYS 101 HA CYS 101 -2.133 -9.522 -4.094 815 HB2 CYS 101 2HB CYS 101 -1.465 -9.525 -1.730 816 HB3 CYS 101 1HB CYS 101 -1.399 -7.765 -1.735 817 HG CYS 101 HG CYS 101 -4.045 -7.305 -1.783 818 H ASN 102 H ASN 102 -4.135 -8.204 -4.191 819 HA ASN 102 HA ASN 102 -3.619 -5.571 -5.440 820 HB2 ASN 102 2HB ASN 102 -5.923 -7.470 -5.949 821 HB3 ASN 102 1HB ASN 102 -5.692 -5.910 -6.734 822 HD21 ASN 102 1HD2 ASN 102 -3.901 -5.670 -8.180 823 HD22 ASN 102 2HD2 ASN 102 -3.209 -7.054 -8.942 824 H THR 103 H THR 103 -5.049 -3.841 -5.048 825 HA THR 103 HA THR 103 -6.897 -4.087 -2.764 826 HB THR 103 HB THR 103 -4.897 -1.816 -2.948 827 HG1 THR 103 HG1 THR 103 -3.553 -3.413 -2.421 828 HG21 THR 103 3HG2 THR 103 -6.925 -1.354 -1.649 829 HG22 THR 103 1HG2 THR 103 -5.516 -1.460 -0.595 830 HG23 THR 103 2HG2 THR 103 -6.649 -2.806 -0.687 831 H ARG 104 H ARG 104 -8.583 -2.501 -2.745 832 HA ARG 104 HA ARG 104 -8.704 -0.770 -5.146 833 HB2 ARG 104 2HB ARG 104 -10.370 -2.523 -5.328 834 HB3 ARG 104 1HB ARG 104 -10.978 -2.168 -3.714 835 HG2 ARG 104 2HG ARG 104 -11.730 0.031 -4.462 836 HG3 ARG 104 1HG ARG 104 -11.097 -0.290 -6.076 837 HD2 ARG 104 2HD ARG 104 -12.683 -2.098 -6.375 838 HD3 ARG 104 1HD ARG 104 -13.257 -1.903 -4.717 839 HE ARG 104 HE ARG 104 -14.063 0.321 -5.389 840 HH11 ARG 104 1HH1 ARG 104 -13.524 -2.044 -7.834 841 HH12 ARG 104 2HH1 ARG 104 -14.528 -1.237 -8.985 842 HH21 ARG 104 1HH2 ARG 104 -15.372 1.319 -6.853 843 HH22 ARG 104 2HH2 ARG 104 -15.592 0.621 -8.425 844 H LEU 105 H LEU 105 -9.363 1.350 -4.922 845 HA LEU 105 HA LEU 105 -10.293 2.253 -2.271 846 HB2 LEU 105 2HB LEU 105 -7.909 2.833 -2.498 847 HB3 LEU 105 1HB LEU 105 -8.255 3.681 -3.996 848 HG LEU 105 HG LEU 105 -9.682 5.277 -2.728 849 HD11 LEU 105 1HD1 LEU 105 -9.558 5.335 -0.291 850 HD12 LEU 105 2HD1 LEU 105 -8.615 3.843 -0.297 851 HD13 LEU 105 3HD1 LEU 105 -10.287 3.832 -0.860 852 HD21 LEU 105 3HD2 LEU 105 -6.833 5.036 -1.756 853 HD22 LEU 105 1HD2 LEU 105 -7.838 6.483 -1.644 854 HD23 LEU 105 2HD2 LEU 105 -7.373 5.853 -3.223 855 H ASP 106 H ASP 106 -12.086 3.466 -2.358 856 HA ASP 106 HA ASP 106 -12.993 4.461 -4.983 857 HB2 ASP 106 2HB ASP 106 -14.554 3.619 -2.530 858 HB3 ASP 106 1HB ASP 106 -15.285 4.387 -3.935 859 H VAL 107 H VAL 107 -13.317 6.593 -5.272 860 HA VAL 107 HA VAL 107 -13.488 8.345 -2.896 861 HB VAL 107 HB VAL 107 -12.156 9.038 -5.532 862 HG11 VAL 107 1HG1 VAL 107 -13.266 10.970 -4.496 863 HG12 VAL 107 2HG1 VAL 107 -11.512 11.133 -4.434 864 HG13 VAL 107 3HG1 VAL 107 -12.402 10.659 -2.987 865 HG21 VAL 107 3HG2 VAL 107 -10.945 8.561 -2.802 866 HG22 VAL 107 1HG2 VAL 107 -10.070 9.103 -4.237 867 HG23 VAL 107 2HG2 VAL 107 -10.800 7.497 -4.201 868 H THR 108 H THR 108 -15.110 9.832 -2.872 869 HA THR 108 HA THR 108 -16.887 9.938 -5.227 870 HB THR 108 HB THR 108 -17.571 10.118 -2.284 871 HG1 THR 108 HG1 THR 108 -18.507 8.183 -2.623 872 HG21 THR 108 3HG2 THR 108 -19.912 10.434 -2.965 873 HG22 THR 108 1HG2 THR 108 -19.406 10.559 -4.650 874 HG23 THR 108 2HG2 THR 108 -18.909 11.786 -3.486 875 H ALA 109 H ALA 109 -17.804 11.926 -5.827 876 HA ALA 109 HA ALA 109 -15.984 14.113 -5.501 877 HB1 ALA 109 3HB ALA 109 -17.386 15.264 -7.132 878 HB2 ALA 109 1HB ALA 109 -18.611 14.002 -6.985 879 HB3 ALA 109 2HB ALA 109 -17.026 13.621 -7.659 880 H ARG 110 H ARG 110 -16.213 15.980 -4.395 881 HA ARG 110 HA ARG 110 -18.156 16.053 -2.268 882 HB2 ARG 110 2HB ARG 110 -16.011 18.006 -3.104 883 HB3 ARG 110 1HB ARG 110 -17.088 18.291 -1.744 884 HG2 ARG 110 2HG ARG 110 -16.264 16.125 -0.767 885 HG3 ARG 110 1HG ARG 110 -15.045 16.103 -2.043 886 HD2 ARG 110 2HD ARG 110 -15.419 18.274 0.021 887 HD3 ARG 110 1HD ARG 110 -14.146 17.055 0.021 888 HE ARG 110 HE ARG 110 -14.297 18.779 -2.320 889 HH11 ARG 110 1HH1 ARG 110 -12.789 18.080 0.698 890 HH12 ARG 110 2HH1 ARG 110 -11.408 19.065 0.359 891 HH21 ARG 110 1HH2 ARG 110 -12.530 20.013 -2.754 892 HH22 ARG 110 2HH2 ARG 110 -11.247 20.125 -1.596 893 HA PRO 111 HA PRO 111 -21.186 18.583 -4.362 894 HB2 PRO 111 2HB PRO 111 -22.600 19.408 -2.187 895 HB3 PRO 111 1HB PRO 111 -22.730 17.776 -2.853 896 HG2 PRO 111 2HG PRO 111 -21.154 18.738 -0.492 897 HG3 PRO 111 1HG PRO 111 -22.122 17.262 -0.667 898 HD2 PRO 111 2HD PRO 111 -19.407 17.295 -0.898 899 HD3 PRO 111 1HD PRO 111 -20.436 16.135 -1.763 900 H ASN 112 H ASN 112 -19.597 19.834 -1.443 901 HA ASN 112 HA ASN 112 -18.801 22.257 -2.837 902 HB2 ASN 112 2HB ASN 112 -20.447 22.347 -0.286 903 HB3 ASN 112 1HB ASN 112 -19.546 23.718 -0.924 904 HD21 ASN 112 1HD2 ASN 112 -22.314 21.676 -1.329 905 HD22 ASN 112 2HD2 ASN 112 -23.106 22.653 -2.507 906 H GLN 113 H GLN 113 -17.006 23.335 -1.761 907 HA GLN 113 HA GLN 113 -15.338 21.608 -0.213 908 HB2 GLN 113 2HB GLN 113 -13.822 23.567 -0.024 909 HB3 GLN 113 1HB GLN 113 -14.294 23.215 -1.681 910 HG2 GLN 113 2HG GLN 113 -15.825 25.063 -1.704 911 HG3 GLN 113 1HG GLN 113 -15.583 25.348 0.018 912 HE21 GLN 113 1HE2 GLN 113 -12.724 24.961 -0.050 913 HE22 GLN 113 2HE2 GLN 113 -12.059 26.348 -0.836 914 H THR 114 H THR 114 -14.835 21.638 1.961 915 HA THR 114 HA THR 114 -16.870 22.783 3.703 916 HB THR 114 HB THR 114 -16.204 20.463 4.089 917 HG1 THR 114 HG1 THR 114 -15.419 20.880 6.410 918 HG21 THR 114 3HG2 THR 114 -13.463 21.577 4.731 919 HG22 THR 114 1HG2 THR 114 -13.874 20.580 3.336 920 HG23 THR 114 2HG2 THR 114 -13.974 19.906 4.963 921 H LEU 115 H LEU 115 -16.009 23.610 5.917 922 HA LEU 115 HA LEU 115 -13.987 25.675 5.333 923 HB2 LEU 115 2HB LEU 115 -15.060 27.099 6.978 924 HB3 LEU 115 1HB LEU 115 -16.193 26.617 5.735 925 HG LEU 115 HG LEU 115 -16.087 25.314 8.466 926 HD11 LEU 115 1HD1 LEU 115 -17.902 27.536 7.516 927 HD12 LEU 115 2HD1 LEU 115 -16.602 27.700 8.696 928 HD13 LEU 115 3HD1 LEU 115 -18.002 26.695 9.064 929 HD21 LEU 115 3HD2 LEU 115 -17.152 23.950 6.750 930 HD22 LEU 115 1HD2 LEU 115 -18.192 25.301 6.294 931 HD23 LEU 115 2HD2 LEU 115 -18.353 24.560 7.887 932 HA PRO 116 HA PRO 116 -11.439 23.557 8.379 933 HB2 PRO 116 2HB PRO 116 -9.746 25.975 8.080 934 HB3 PRO 116 1HB PRO 116 -9.339 24.276 7.823 935 HG2 PRO 116 2HG PRO 116 -9.627 25.941 5.757 936 HG3 PRO 116 1HG PRO 116 -10.194 24.261 5.662 937 HD2 PRO 116 2HD PRO 116 -11.779 26.769 6.166 938 HD3 PRO 116 1HD PRO 116 -12.156 25.401 5.095
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